(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid

C12H15ClN2O3 — CID 114011869

IUPAC(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cccnc1Cl)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-2-3-6-9(12(17)18)15-11(16)8-5-4-7-14-10(8)13/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyMYKOORZWQZRQOR-VIFPVBQESA-N
MW270.72 g/mol
LogP2.11
Rot. Bonds6

About (2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid

(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 114011869) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
PubChem CID114011869
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cccnc1Cl)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-2-3-6-9(12(17)18)15-11(16)8-5-4-7-14-10(8)13/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyMYKOORZWQZRQOR-VIFPVBQESA-N
XLogP2.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
2-[(2-bromopyridine-3-carbonyl)amino]hexanoic acid
CID 104543371
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid
CID 103602693
methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate
CID 102561066
(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid
CID 120615249
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
(2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid
CID 166384100
(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid
CID 114037268
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
CID 120615460
(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
CID 107144107

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid (CID 114011869) is (2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1cccnc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is MYKOORZWQZRQOR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-3-6-9(12(17)18)15-11(16)8-5-4-7-14-10(8)13/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid?
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 270.72 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 114011869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).