6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid

C16H30N2O3 — CID 64733713

IUPAC6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)NC1CC(C)CC(C)C1)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(4-5-15(19)20)6-7-17-16(21)18-14-9-12(2)8-13(3)10-14/h11-14H,4-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyHUTNDXVFBMUWNG-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.00
Rot. Bonds7

About 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid

6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid (PubChem CID 64733713) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid
PubChem CID64733713
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)NC1CC(C)CC(C)C1)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(4-5-15(19)20)6-7-17-16(21)18-14-9-12(2)8-13(3)10-14/h11-14H,4-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyHUTNDXVFBMUWNG-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic 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

6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid
CID 65289656
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
4-methyl-6-(thiolan-3-ylcarbamoylamino)hexanoic acid
CID 103063977
(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
CID 107841041
4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid
CID 114548725
4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419995
4-methyl-6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]hexanoic acid
CID 102907233
4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
CID 79361337
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 114424090
6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid
CID 106005327
(2S)-2-hydroxy-3-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 107841042

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid?
The IUPAC name of 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid (CID 64733713) is 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid is CC(CCNC(=O)NC1CC(C)CC(C)C1)CCC(=O)O.
What is the InChIKey of 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid?
The InChIKey is HUTNDXVFBMUWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(4-5-15(19)20)6-7-17-16(21)18-14-9-12(2)8-13(3)10-14/h11-14H,4-10H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid?
6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid is sourced from PubChem (CID 64733713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).