(3-hydroxy-4-methylcyclohexyl)carbamic acid

C8H15NO3 — CID 89157990

IUPAC(3-hydroxy-4-methylcyclohexyl)carbamic acid
SMILESCC1CCC(NC(=O)O)CC1O
InChIInChI=1S/C8H15NO3/c1-5-2-3-6(4-7(5)10)9-8(11)12/h5-7,9-10H,2-4H2,1H3,(H,11,12)
InChIKeyXLIMHMKSWSFFPY-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.80
Rot. Bonds1

About (3-hydroxy-4-methylcyclohexyl)carbamic acid

(3-hydroxy-4-methylcyclohexyl)carbamic acid (PubChem CID 89157990) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (3-hydroxy-4-methylcyclohexyl)carbamic acid.

Molecular Properties

Compound Name(3-hydroxy-4-methylcyclohexyl)carbamic acid
PubChem CID89157990
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(3-hydroxy-4-methylcyclohexyl)carbamic acid
SMILESCC1CCC(NC(=O)O)CC1O
InChIInChI=1S/C8H15NO3/c1-5-2-3-6(4-7(5)10)9-8(11)12/h5-7,9-10H,2-4H2,1H3,(H,11,12)
InChIKeyXLIMHMKSWSFFPY-UHFFFAOYSA-N
XLogP0.80
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (3-hydroxy-4-methylcyclohexyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]carbamic acid
CID 89396263
N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide
CID 58477543
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
(5R)-2-methyl-5-(methylamino)cyclohexan-1-ol
CID 176717328
[(1R,3R,4R)-4-amino-3-hydroxycyclohexyl]carbamic acid
CID 130303554
(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
CID 58369423
[(1S,3R)-3-(methylamino)cyclopentyl]carbamic acid
CID 146636382
3-hydroxy-4-methylcyclohexane-1-carboxylic acid
CID 13413129
(3-methylcyclohexyl)carbamic acid
CID 67410451
(3-methylcycloheptyl)carbamic acid
CID 143291001
[(1S,3R)-3-aminocyclopentyl]carbamic acid
CID 67513100

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylcyclohexyl)carbamic acid?
The IUPAC name of (3-hydroxy-4-methylcyclohexyl)carbamic acid (CID 89157990) is (3-hydroxy-4-methylcyclohexyl)carbamic acid.
What is the SMILES notation for (3-hydroxy-4-methylcyclohexyl)carbamic acid?
The canonical SMILES for (3-hydroxy-4-methylcyclohexyl)carbamic acid is CC1CCC(NC(=O)O)CC1O.
What is the InChIKey of (3-hydroxy-4-methylcyclohexyl)carbamic acid?
The InChIKey is XLIMHMKSWSFFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-2-3-6(4-7(5)10)9-8(11)12/h5-7,9-10H,2-4H2,1H3,(H,11,12).
What are the key properties of (3-hydroxy-4-methylcyclohexyl)carbamic acid?
(3-hydroxy-4-methylcyclohexyl)carbamic acid has a molecular weight of 173.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylcyclohexyl)carbamic acid is sourced from PubChem (CID 89157990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).