6-[(4-cyanophenyl)carbamoylamino]hexanoic acid

C14H17N3O3 — CID 16788289

IUPAC6-[(4-cyanophenyl)carbamoylamino]hexanoic acid
SMILESN#Cc1ccc(NC(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C14H17N3O3/c15-10-11-5-7-12(8-6-11)17-14(20)16-9-3-1-2-4-13(18)19/h5-8H,1-4,9H2,(H,18,19)(H2,16,17,20)
InChIKeyBLAWFQZHBDHJNV-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.32
Rot. Bonds7

About 6-[(4-cyanophenyl)carbamoylamino]hexanoic acid

6-[(4-cyanophenyl)carbamoylamino]hexanoic acid (PubChem CID 16788289) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[(4-cyanophenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-cyanophenyl)carbamoylamino]hexanoic acid
PubChem CID16788289
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-[(4-cyanophenyl)carbamoylamino]hexanoic acid
SMILESN#Cc1ccc(NC(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C14H17N3O3/c15-10-11-5-7-12(8-6-11)17-14(20)16-9-3-1-2-4-13(18)19/h5-8H,1-4,9H2,(H,18,19)(H2,16,17,20)
InChIKeyBLAWFQZHBDHJNV-UHFFFAOYSA-N
XLogP2.32
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(4-cyanophenyl)carbamoylamino]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

1-(4-cyanophenyl)-3-(4-oxopentyl)urea
CID 58032855
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
6-[(5-cyano-2-methylphenyl)carbamoylamino]hexanoic acid
CID 62104886
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525
4-[(3,4-dicyanophenyl)carbamoylamino]butanoic acid
CID 107792046
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
6-[(4-pyrrol-1-ylphenyl)carbamoylamino]hexanoic acid
CID 108886670
15-[(3,4-difluorophenyl)carbamoylamino]pentadecanoic acid
CID 148926172
(2S)-4-[(4-cyanophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107835130
4-[(4-iodophenyl)carbamoylamino]butanoic acid
CID 61185530

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyanophenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 6-[(4-cyanophenyl)carbamoylamino]hexanoic acid (CID 16788289) is 6-[(4-cyanophenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(4-cyanophenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(4-cyanophenyl)carbamoylamino]hexanoic acid is N#Cc1ccc(NC(=O)NCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[(4-cyanophenyl)carbamoylamino]hexanoic acid?
The InChIKey is BLAWFQZHBDHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-10-11-5-7-12(8-6-11)17-14(20)16-9-3-1-2-4-13(18)19/h5-8H,1-4,9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 6-[(4-cyanophenyl)carbamoylamino]hexanoic acid?
6-[(4-cyanophenyl)carbamoylamino]hexanoic acid has a molecular weight of 275.31 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyanophenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 16788289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).