2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid

C10H11ClN2O3 — CID 45122335

IUPAC2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccnc(Cl)c1)C(=O)O
InChIInChI=1S/C10H11ClN2O3/c1-2-7(10(15)16)13-9(14)6-3-4-12-8(11)5-6/h3-5,7H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeySPMONYFLGLYGNV-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.33
Rot. Bonds4

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

2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid (PubChem CID 45122335) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
PubChem CID45122335
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccnc(Cl)c1)C(=O)O
InChIInChI=1S/C10H11ClN2O3/c1-2-7(10(15)16)13-9(14)6-3-4-12-8(11)5-6/h3-5,7H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeySPMONYFLGLYGNV-UHFFFAOYSA-N
XLogP1.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.33
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

(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid
CID 103804471
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
CID 103925925
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
(2R)-2-[(3,4-dihydroxybenzoyl)amino]butanoic acid
CID 107728136
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
(2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]butanoic acid
CID 114037087
2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 51891718
2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid
CID 103790725

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid (CID 45122335) is 2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid is CCC(NC(=O)c1ccnc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is SPMONYFLGLYGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-2-7(10(15)16)13-9(14)6-3-4-12-8(11)5-6/h3-5,7H,2H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid?
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 242.66 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 45122335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).