(2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid

C7H11NO3 — CID 70097060

IUPAC(2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC[C@H]1C[C@@H](C(=O)O)NC1=O
InChIInChI=1S/C7H11NO3/c1-2-4-3-5(7(10)11)8-6(4)9/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5-/m0/s1
InChIKeyYLUFHSLYBDWEEV-WHFBIAKZSA-N
MW157.17 g/mol
LogP-0.01
Rot. Bonds2

About (2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid

(2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 70097060) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID70097060
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC[C@H]1C[C@@H](C(=O)O)NC1=O
InChIInChI=1S/C7H11NO3/c1-2-4-3-5(7(10)11)8-6(4)9/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5-/m0/s1
InChIKeyYLUFHSLYBDWEEV-WHFBIAKZSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid (CID 70097060) is (2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid is CC[C@H]1C[C@@H](C(=O)O)NC1=O.
What is the InChIKey of (2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is YLUFHSLYBDWEEV-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-4-3-5(7(10)11)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 (2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid?
(2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70097060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).