5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid

C14H18ClNO3 — CID 82854339

IUPAC5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-10(4-2-7-14(18)19)16-13(17)9-11-5-3-6-12(15)8-11/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyUOFNYDKEHZZOSS-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.64
Rot. Bonds7

About 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid

5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid (PubChem CID 82854339) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
PubChem CID82854339
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-10(4-2-7-14(18)19)16-13(17)9-11-5-3-6-12(15)8-11/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyUOFNYDKEHZZOSS-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 82846214
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62505107
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 94460375
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901
(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
CID 53340951
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 62504934
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
CID 82855066

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid (CID 82854339) is 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid?
The InChIKey is UOFNYDKEHZZOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10(4-2-7-14(18)19)16-13(17)9-11-5-3-6-12(15)8-11/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid?
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 82854339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).