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(2E,4S)-4-[(tert-Butyloxycarbonyl)aMino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoicAcidEethylEster

(2E,4S)-4-[(tert-Butyloxycarbonyl)aMino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoicAcidEethylEster structure

CAS No:
328086-54-0
Formula:
C16H26N2O5
Chemical Name:
(2E,4S)-4-[(tert-Butyloxycarbonyl)aMino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoicAcidEethylEster
Synonyms:
(2E,4S)-4-[(tert-Butyloxycarbonyl)aMino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester;2-Pentenoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-, ethyl ester, (2E,4S)-;(S,E)-ethyl 4-((tert-butoxycarbonyl)amino)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate(WXG01712);ethyl (S,E)-4-((tert-butoxycarbonyl)amino)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate;Ethyl (S,E)-4-(Boc-amino)-5-[(S)-2-oxo-3-pyrrolidinyl]-2-pentenoate

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(2E,4S)-4-[(tert-Butyloxycarbonyl)aMino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoicAcidEethylEster Basic Attributes

Molecular Weight：

326.39

Exact Mass：

326.18417193

Characteristics

PSA：

93.73000

XLogP3：

2.24490

Density：

1.111±0.06 g/cm3

Boiling Point：

515.4±35.0 °C(Predicted)

PKA：

11.14±0.46

(2E,4S)-4-[(tert-Butyloxycarbonyl)aMino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoicAcidEethylEster Use and Manufacturing

(2E,4S)-4-[(tert-Butyloxycarbonyl)aMino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester is used in the preparation of Rhinovirus protease inhibitors.

Computed Properties

Molecular Weight:326.39
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:326.18417193
Monoisotopic Mass:326.18417193
Topological Polar Surface Area:93.7
Heavy Atom Count:23
Complexity:468
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2E,4S)-4-[(tert-Butyloxycarbonyl)aMino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoicAcidEethylEster

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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