(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid

C7H11NO3 — CID 131851987

IUPAC(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1C(=O)NC[C@H]1C(=O)O
InChIInChI=1S/C7H11NO3/c1-2-4-5(7(10)11)3-8-6(4)9/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m0/s1
InChIKeyFAUYPPQTTNSIIV-CRCLSJGQSA-N
MW157.17 g/mol
LogP-0.16
Rot. Bonds2

About (3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid

(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 131851987) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID131851987
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1C(=O)NC[C@H]1C(=O)O
InChIInChI=1S/C7H11NO3/c1-2-4-5(7(10)11)3-8-6(4)9/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m0/s1
InChIKeyFAUYPPQTTNSIIV-CRCLSJGQSA-N
XLogP-0.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 171921039
4-methoxycarbonyl-5-oxopyrrolidine-3-carboxylic acid
CID 121340104
(1R,2S,3R)-3-ethyl-2-methyl-4-oxocyclohexane-1-carboxylic acid
CID 130777487
4-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
CID 70336587
(3S,4R)-3-methyl-4-prop-1-en-2-ylpyrrolidin-2-one
CID 89476528
4-hydroxy-3-pentylpyrrolidin-2-one
CID 67824798
ethyl (3R,4S)-5-oxo-4-phenylpyrrolidine-3-carboxylate
CID 142553766
ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 130007839
(1R,5S,6S)-4-oxo-3-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 98908289
(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid
CID 58977392
4-[[(3S)-4-methyl-2-oxopyrrolidin-3-yl]methyl]benzoic acid
CID 141316015
(2S,3S)-2-ethylpyrrolidine-3-carboxylic acid
CID 95993864

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid (CID 131851987) is (3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid is CC[C@@H]1C(=O)NC[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is FAUYPPQTTNSIIV-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-4-5(7(10)11)3-8-6(4)9/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m0/s1.
What are the key properties of (3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid?
(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 131851987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).