2-[(3-chlorobenzoyl)amino]hexanoic acid

C13H16ClNO3 — CID 43386912

IUPAC2-[(3-chlorobenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C13H16ClNO3/c1-2-3-7-11(13(17)18)15-12(16)9-5-4-6-10(14)8-9/h4-6,8,11H,2-3,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyUWFUQFGIXOMSQZ-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.71
Rot. Bonds6

About 2-[(3-chlorobenzoyl)amino]hexanoic acid

2-[(3-chlorobenzoyl)amino]hexanoic acid (PubChem CID 43386912) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)amino]hexanoic acid
PubChem CID43386912
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-[(3-chlorobenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C13H16ClNO3/c1-2-3-7-11(13(17)18)15-12(16)9-5-4-6-10(14)8-9/h4-6,8,11H,2-3,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyUWFUQFGIXOMSQZ-UHFFFAOYSA-N
XLogP2.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-chlorobenzoyl)amino]pentanedioic acid
CID 61152009
(2S)-2-[[3-(dimethylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120614981
2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 94460375
(2S)-2-[[3-(methylsulfanylmethyl)benzoyl]amino]hexanoic acid
CID 107144300
(2S)-2-[[3-[(dimethylamino)methyl]benzoyl]amino]hexanoic acid
CID 120614154
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 67832580
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid
CID 120614965
2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid
CID 61244023

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)amino]hexanoic acid?
The IUPAC name of 2-[(3-chlorobenzoyl)amino]hexanoic acid (CID 43386912) is 2-[(3-chlorobenzoyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(3-chlorobenzoyl)amino]hexanoic acid?
The canonical SMILES for 2-[(3-chlorobenzoyl)amino]hexanoic acid is CCCCC(NC(=O)c1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3-chlorobenzoyl)amino]hexanoic acid?
The InChIKey is UWFUQFGIXOMSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-2-3-7-11(13(17)18)15-12(16)9-5-4-6-10(14)8-9/h4-6,8,11H,2-3,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-chlorobenzoyl)amino]hexanoic acid?
2-[(3-chlorobenzoyl)amino]hexanoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)amino]hexanoic acid is sourced from PubChem (CID 43386912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).