2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine

C12H17N3O3 — CID 70115817

IUPAC2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine
SMILESCC(C(=O)O)N1CCCC1=O.Nc1cccnc1
InChIInChI=1S/C7H11NO3.C5H6N2/c1-5(7(10)11)8-4-2-3-6(8)9;6-5-2-1-3-7-4-5/h5H,2-4H2,1H3,(H,10,11);1-4H,6H2
InChIKeyVSCNCPAFAYOGFW-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.75
Rot. Bonds2

About 2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine

2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine (PubChem CID 70115817) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine
PubChem CID70115817
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine
SMILESCC(C(=O)O)N1CCCC1=O.Nc1cccnc1
InChIInChI=1S/C7H11NO3.C5H6N2/c1-5(7(10)11)8-4-2-3-6(8)9;6-5-2-1-3-7-4-5/h5H,2-4H2,1H3,(H,10,11);1-4H,6H2
InChIKeyVSCNCPAFAYOGFW-UHFFFAOYSA-N
XLogP0.75
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxoazepan-1-yl)propanoic acid
CID 23005468
3-methylbutanoic acid;pyridin-3-amine
CID 143630380
hydrogen peroxide;pyridin-3-amine
CID 87884226
tert-butyl piperidine-1-carboxylate;pyridin-3-amine
CID 172593579
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
1-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidin-2-one
CID 71083509
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
bis(pyridin-3-amine);hydrate
CID 172803625
iron;pyridin-3-amine
CID 174751178
2-pyridin-3-yloxypropanoic acid
CID 22668209
(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
CID 162152790

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine (CID 70115817) is 2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine is CC(C(=O)O)N1CCCC1=O.Nc1cccnc1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine?
The InChIKey is VSCNCPAFAYOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.C5H6N2/c1-5(7(10)11)8-4-2-3-6(8)9;6-5-2-1-3-7-4-5/h5H,2-4H2,1H3,(H,10,11);1-4H,6H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine?
2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine has a molecular weight of 251.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine is sourced from PubChem (CID 70115817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).