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

C14H26N2O3 — CID 64732933

IUPAC5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
SMILESCC1CC(C)CC(NC(=O)NCCCCC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10-7-11(2)9-12(8-10)16-14(19)15-6-4-3-5-13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyMMGANDUDXAYBFM-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds6

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

5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid (PubChem CID 64732933) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
PubChem CID64732933
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
SMILESCC1CC(C)CC(NC(=O)NCCCCC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10-7-11(2)9-12(8-10)16-14(19)15-6-4-3-5-13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyMMGANDUDXAYBFM-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,4-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64744106
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
CID 103254539
6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid
CID 64733713
12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
CID 148925401
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid
CID 122014337
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
CID 107841041
5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid
CID 82728125
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[6-[[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoylamino]hexyl]urea
CID 25406909
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[6-[[(1R,5R)-3,3,5-trimethylcyclohexyl]carbamoylamino]hexyl]urea
CID 25406912

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid (CID 64732933) is 5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid is CC1CC(C)CC(NC(=O)NCCCCC(=O)O)C1.
What is the InChIKey of 5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid?
The InChIKey is MMGANDUDXAYBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-7-11(2)9-12(8-10)16-14(19)15-6-4-3-5-13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid?
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 64732933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).