6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid

C15H28N2O3 — CID 61468058

IUPAC6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid
SMILESCCC1CCCCC1NC(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-2-12-8-5-6-9-13(12)17-15(20)16-11-7-3-4-10-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWNLCDIZBLJYMBH-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.90
Rot. Bonds8

About 6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid

6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid (PubChem CID 61468058) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid
PubChem CID61468058
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid
SMILESCCC1CCCCC1NC(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-2-12-8-5-6-9-13(12)17-15(20)16-11-7-3-4-10-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWNLCDIZBLJYMBH-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.90
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

1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
4-[(2-ethylsulfanylcyclohexyl)carbamoylamino]butanoic acid
CID 122005456
1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid
CID 82728125
4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid
CID 122016980
6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
CID 79873494
4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid
CID 122002966
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
CID 103722438
4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158850
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid?
The IUPAC name of 6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid (CID 61468058) is 6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid is CCC1CCCCC1NC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid?
The InChIKey is WNLCDIZBLJYMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-12-8-5-6-9-13(12)17-15(20)16-11-7-3-4-10-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid?
6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 61468058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).