3-(2-oxopyrrolidin-1-yl)propanoic acid

C7H11NO3 — CID 3146688

IUPAC3-(2-oxopyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCCC1=O
InChIInChI=1S/C7H11NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h1-5H2,(H,10,11)
InChIKeyXOMYTIUVNSWEAI-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.08
Rot. Bonds3

About 3-(2-oxopyrrolidin-1-yl)propanoic acid

3-(2-oxopyrrolidin-1-yl)propanoic acid (PubChem CID 3146688) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)propanoic acid
PubChem CID3146688
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(2-oxopyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCCC1=O
InChIInChI=1S/C7H11NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h1-5H2,(H,10,11)
InChIKeyXOMYTIUVNSWEAI-UHFFFAOYSA-N
XLogP0.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 853808
2-(2-Oxopyrrolidin-1-yl)acetic acid
CID 3146687
3-(2,5-Dioxopyrrolidin-1-yl)propanoic acid
CID 245861
3-(1-Pyrrolidinyl)propanoic acid
CID 558407
4-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 3146689
1-Acetylpyrrolidine-3-carboxylic acid
CID 22117928
Pyroglutamate, (+)-
CID 9855476
beta-Methyl-2-oxo-1-pyrrolidinepropanoic acid
CID 43361090
(3R)-1-Acetylpyrrolidine-3-carboxylic acid
CID 68220896
Methyl 3-(2-oxopyrrolidin-1-yl)propanoate
CID 12843797
1-Acetyl-3-fluoropyrrolidine-3-carboxylic acid
CID 126995690
2,2-Difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 130600701

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)propanoic acid (CID 3146688) is 3-(2-oxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)propanoic acid is O=C(O)CCN1CCCC1=O.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)propanoic acid?
The InChIKey is XOMYTIUVNSWEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h1-5H2,(H,10,11).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)propanoic acid?
3-(2-oxopyrrolidin-1-yl)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 3146688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).