6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid

C15H28N2O3 — CID 79873494

IUPAC6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
SMILESCC1(C)CCCCC1NC(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-15(2)10-6-5-8-12(15)17-14(20)16-11-7-3-4-9-13(18)19/h12H,3-11H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyMZYPLGPMLWIAKO-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.90
Rot. Bonds7

About 6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid

6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid (PubChem CID 79873494) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
PubChem CID79873494
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
SMILESCC1(C)CCCCC1NC(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-15(2)10-6-5-8-12(15)17-14(20)16-11-7-3-4-9-13(18)19/h12H,3-11H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyMZYPLGPMLWIAKO-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
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

6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid
CID 61468058
7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid
CID 113485787
6-amino-N-(2,2-dimethylcyclohexyl)hexanamide
CID 79878465
1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
CID 111841130
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
CID 79878132
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
1-[(2,2-dimethylcyclohexyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 79878705
6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid
CID 120522460
12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
CID 148925401
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid?
The IUPAC name of 6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid (CID 79873494) is 6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid is CC1(C)CCCCC1NC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid?
The InChIKey is MZYPLGPMLWIAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2)10-6-5-8-12(15)17-14(20)16-11-7-3-4-9-13(18)19/h12H,3-11H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid?
6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 79873494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).