2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid

C14H26N2O3 — CID 64732149

IUPAC2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NC1CC(C)CC(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-5-12(13(17)18)16-14(19)15-11-7-9(2)6-10(3)8-11/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyAMSMESQQUJIFHD-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.36
Rot. Bonds5

About 2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid

2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid (PubChem CID 64732149) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
PubChem CID64732149
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NC1CC(C)CC(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-5-12(13(17)18)16-14(19)15-11-7-9(2)6-10(3)8-11/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyAMSMESQQUJIFHD-UHFFFAOYSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861581
(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 114005833
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
CID 107566467
(2S)-2-[(1,2-dimethylpiperidin-4-yl)carbamoylamino]pentanoic acid
CID 107567367
2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115923946
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566455
(2S)-2-[(3,5-dimethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 64731560
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid (CID 64732149) is 2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid is CCCC(NC(=O)NC1CC(C)CC(C)C1)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid?
The InChIKey is AMSMESQQUJIFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-5-12(13(17)18)16-14(19)15-11-7-9(2)6-10(3)8-11/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid?
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 64732149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).