3-(5-oxopyrrolidin-2-yl)propanoic acid

C7H11NO3 — CID 4585667

IUPAC3-(5-oxopyrrolidin-2-yl)propanoic acid
SMILESO=C(O)CCC1CCC(=O)N1
InChIInChI=1S/C7H11NO3/c9-6-3-1-5(8-6)2-4-7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKeyCSBJIXVKDCZBPF-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.13
Rot. Bonds3

About 3-(5-oxopyrrolidin-2-yl)propanoic acid

3-(5-oxopyrrolidin-2-yl)propanoic acid (PubChem CID 4585667) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(5-oxopyrrolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-oxopyrrolidin-2-yl)propanoic acid
PubChem CID4585667
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(5-oxopyrrolidin-2-yl)propanoic acid
SMILESO=C(O)CCC1CCC(=O)N1
InChIInChI=1S/C7H11NO3/c9-6-3-1-5(8-6)2-4-7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKeyCSBJIXVKDCZBPF-UHFFFAOYSA-N
XLogP0.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 558761
2-(5-Oxopyrrolidin-2-yl)acetic acid
CID 25098
Methyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 558769
4-(5-Oxopyrrolidin-2-yl)butanoic acid
CID 44364679
3-[(2R)-Pyrrolidin-2-yl]propanoic acid
CID 11528359
3-Pyrrolidin-2-yl-propionic acid
CID 550965
4-Tridecanoylamino-octanoic acid
CID 44281274
3-((2R)-pyrrolidin-2-yl)propanoic acid hydrochloride
CID 71757916
3-[(2S)-pyrrolidin-2-yl]propanoic acid hydrochloride
CID 132398598
3-(7-Oxoazepan-2-yl)propanoic acid
CID 44364644
5-(3-Hydroxypropyl)pyrrolidin-2-one
CID 558386
3-[(2S)-5-oxopyrrolidin-2-yl]propanoic acid
CID 7083928

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxopyrrolidin-2-yl)propanoic acid?
The IUPAC name of 3-(5-oxopyrrolidin-2-yl)propanoic acid (CID 4585667) is 3-(5-oxopyrrolidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-oxopyrrolidin-2-yl)propanoic acid?
The canonical SMILES for 3-(5-oxopyrrolidin-2-yl)propanoic acid is O=C(O)CCC1CCC(=O)N1.
What is the InChIKey of 3-(5-oxopyrrolidin-2-yl)propanoic acid?
The InChIKey is CSBJIXVKDCZBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-3-1-5(8-6)2-4-7(10)11/h5H,1-4H2,(H,8,9)(H,10,11).
What are the key properties of 3-(5-oxopyrrolidin-2-yl)propanoic acid?
3-(5-oxopyrrolidin-2-yl)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxopyrrolidin-2-yl)propanoic acid is sourced from PubChem (CID 4585667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).