1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid

C14H17ClN2O4 — CID 82031417

IUPAC1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCCn1cc(Cl)ccc1=O
InChIInChI=1S/C14H17ClN2O4/c15-10-5-6-12(18)16(9-10)7-2-4-13(19)17-8-1-3-11(17)14(20)21/h5-6,9,11H,1-4,7-8H2,(H,20,21)
InChIKeyVLHDRDGNADFRPI-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.36
Rot. Bonds5

About 1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid

1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 82031417) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID82031417
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCCn1cc(Cl)ccc1=O
InChIInChI=1S/C14H17ClN2O4/c15-10-5-6-12(18)16(9-10)7-2-4-13(19)17-8-1-3-11(17)14(20)21/h5-6,9,11H,1-4,7-8H2,(H,20,21)
InChIKeyVLHDRDGNADFRPI-UHFFFAOYSA-N
XLogP1.36
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[3-(4-chlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92924493
1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 79024004
(2S)-1-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366167
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371594
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
(2S)-1-[3-(2,4-dichlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365280
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
CID 150619819
1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119356458
1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119355394
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one
CID 59940988

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid (CID 82031417) is 1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CCCn1cc(Cl)ccc1=O.
What is the InChIKey of 1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VLHDRDGNADFRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c15-10-5-6-12(18)16(9-10)7-2-4-13(19)17-8-1-3-11(17)14(20)21/h5-6,9,11H,1-4,7-8H2,(H,20,21).
What are the key properties of 1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid?
1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 312.75 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82031417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).