3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid

C14H20N2O3 — CID 82907483

IUPAC3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCn2ccccc2=O)C1
InChIInChI=1S/C14H20N2O3/c17-13-3-1-2-7-16(13)10-9-15-8-6-12(11-15)4-5-14(18)19/h1-3,7,12H,4-6,8-11H2,(H,18,19)
InChIKeyZCQCDIKKWFQAND-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.03
Rot. Bonds6

About 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid

3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid (PubChem CID 82907483) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid
PubChem CID82907483
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCn2ccccc2=O)C1
InChIInChI=1S/C14H20N2O3/c17-13-3-1-2-7-16(13)10-9-15-8-6-12(11-15)4-5-14(18)19/h1-3,7,12H,4-6,8-11H2,(H,18,19)
InChIKeyZCQCDIKKWFQAND-UHFFFAOYSA-N
XLogP1.03
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 82892628
3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid
CID 23301332
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565
1-[2-(4-amino-3-ethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 82907183
1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide
CID 82897699
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898983
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931
4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 70720465

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid (CID 82907483) is 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid is O=C(O)CCC1CCN(CCn2ccccc2=O)C1.
What is the InChIKey of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid?
The InChIKey is ZCQCDIKKWFQAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13-3-1-2-7-16(13)10-9-15-8-6-12(11-15)4-5-14(18)19/h1-3,7,12H,4-6,8-11H2,(H,18,19).
What are the key properties of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid?
3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 82907483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).