(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid

C11H13ClN2O3 — CID 107563826

IUPAC(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cc(Cl)ccn1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-2-3-8(11(16)17)14-10(15)9-6-7(12)4-5-13-9/h4-6,8H,2-3H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyONKRBJFBMHSMCY-QMMMGPOBSA-N
MW256.69 g/mol
LogP1.72
Rot. Bonds5

About (2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid

(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 107563826) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is (2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
PubChem CID107563826
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cc(Cl)ccn1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-2-3-8(11(16)17)14-10(15)9-6-7(12)4-5-13-9/h4-6,8H,2-3H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyONKRBJFBMHSMCY-QMMMGPOBSA-N
XLogP1.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide
CID 18115585
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723
2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
CID 106683349
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
CID 98538518
2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid
CID 154159367

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid (CID 107563826) is (2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)c1cc(Cl)ccn1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is ONKRBJFBMHSMCY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-2-3-8(11(16)17)14-10(15)9-6-7(12)4-5-13-9/h4-6,8H,2-3H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid?
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107563826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).