[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid

C8H15NO3 — CID 166709107

IUPAC[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
SMILESO=C(O)N[C@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C8H15NO3/c10-5-6-2-1-3-7(4-6)9-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7+/m1/s1
InChIKeyUHZMDRCQVJCWSM-RQJHMYQMSA-N
MW173.21 g/mol
LogP0.81
Rot. Bonds2

About [(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid

[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid (PubChem CID 166709107) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
PubChem CID166709107
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
SMILESO=C(O)N[C@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C8H15NO3/c10-5-6-2-1-3-7(4-6)9-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7+/m1/s1
InChIKeyUHZMDRCQVJCWSM-RQJHMYQMSA-N
XLogP0.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1S,3R)-3-(hydroxymethyl)cyclohexyl]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

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid?
The IUPAC name of [(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid (CID 166709107) is [(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid is O=C(O)N[C@H]1CCC[C@@H](CO)C1.
What is the InChIKey of [(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid?
The InChIKey is UHZMDRCQVJCWSM-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-6-2-1-3-7(4-6)9-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of [(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid?
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid has a molecular weight of 173.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 166709107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).