5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid

C15H28N2O3 — CID 82848337

IUPAC5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)C1CCCCC1C
InChIInChI=1S/C15H28N2O3/c1-11-7-4-5-9-13(11)17(3)15(20)16-12(2)8-6-10-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDEYWNYMHOVWVTR-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds6

About 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid

5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid (PubChem CID 82848337) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
PubChem CID82848337
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)C1CCCCC1C
InChIInChI=1S/C15H28N2O3/c1-11-7-4-5-9-13(11)17(3)15(20)16-12(2)8-6-10-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDEYWNYMHOVWVTR-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825
5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848247
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid
CID 107566610
4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 55004627
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 82848088
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
CID 105419701
3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 55209464
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82848497
4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 65058593
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid (CID 82848337) is 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N(C)C1CCCCC1C.
What is the InChIKey of 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid?
The InChIKey is DEYWNYMHOVWVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-7-4-5-9-13(11)17(3)15(20)16-12(2)8-6-10-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid?
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82848337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).