2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid

C13H17ClN2O4 — CID 82031256

IUPAC2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCn1cc(Cl)ccc1=O)C(=O)O
InChIInChI=1S/C13H17ClN2O4/c1-2-3-10(13(19)20)15-11(17)6-7-16-8-9(14)4-5-12(16)18/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,17)(H,19,20)
InChIKeyKJAQGIOOCRXMGX-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.26
Rot. Bonds7

About 2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid

2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid (PubChem CID 82031256) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
PubChem CID82031256
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCn1cc(Cl)ccc1=O)C(=O)O
InChIInChI=1S/C13H17ClN2O4/c1-2-3-10(13(19)20)15-11(17)6-7-16-8-9(14)4-5-12(16)18/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,17)(H,19,20)
InChIKeyKJAQGIOOCRXMGX-UHFFFAOYSA-N
XLogP1.26
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60832159
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826
4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid
CID 82031259
2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
CID 82031284
(2S)-2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]hexanoic acid
CID 120614077
(2S)-4-methylsulfanyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 61152547

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The IUPAC name of 2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid (CID 82031256) is 2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The canonical SMILES for 2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid is CCCC(NC(=O)CCn1cc(Cl)ccc1=O)C(=O)O.
What is the InChIKey of 2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The InChIKey is KJAQGIOOCRXMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-2-3-10(13(19)20)15-11(17)6-7-16-8-9(14)4-5-12(16)18/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid has a molecular weight of 300.74 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid is sourced from PubChem (CID 82031256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).