cis-(1S,3R)-2-aminocyclohexane-1,3-diol

C6H13NO2 — CID 13375420

IUPACcis-(1S,3R)-2-aminocyclohexane-1,3-diol
SMILESNC1[C@H](O)CCC[C@@H]1O
InChIInChI=1S/C6H13NO2/c7-6-4(8)2-1-3-5(6)9/h4-6,8-9H,1-3,7H2/t4-,5+,6?
InChIKeyMNLZNJPXUJURMD-XEAPYIEGSA-N
MW131.17 g/mol
LogP-0.78
Rot. Bonds

About cis-(1S,3R)-2-aminocyclohexane-1,3-diol

cis-(1S,3R)-2-aminocyclohexane-1,3-diol (PubChem CID 13375420) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is cis-(1S,3R)-2-aminocyclohexane-1,3-diol.

Molecular Properties

Compound Namecis-(1S,3R)-2-aminocyclohexane-1,3-diol
PubChem CID13375420
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namecis-(1S,3R)-2-aminocyclohexane-1,3-diol
SMILESNC1[C@H](O)CCC[C@@H]1O
InChIInChI=1S/C6H13NO2/c7-6-4(8)2-1-3-5(6)9/h4-6,8-9H,1-3,7H2/t4-,5+,6?
InChIKeyMNLZNJPXUJURMD-XEAPYIEGSA-N
XLogP-0.78
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-2-aminocyclohexane-1,3-diol 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 cis-(1S,3R)-2-aminocyclohexane-1,3-diol?
The IUPAC name of cis-(1S,3R)-2-aminocyclohexane-1,3-diol (CID 13375420) is cis-(1S,3R)-2-aminocyclohexane-1,3-diol.
What is the SMILES notation for cis-(1S,3R)-2-aminocyclohexane-1,3-diol?
The canonical SMILES for cis-(1S,3R)-2-aminocyclohexane-1,3-diol is NC1[C@H](O)CCC[C@@H]1O.
What is the InChIKey of cis-(1S,3R)-2-aminocyclohexane-1,3-diol?
The InChIKey is MNLZNJPXUJURMD-XEAPYIEGSA-N. The full InChI is InChI=1S/C6H13NO2/c7-6-4(8)2-1-3-5(6)9/h4-6,8-9H,1-3,7H2/t4-,5+,6?.
What are the key properties of cis-(1S,3R)-2-aminocyclohexane-1,3-diol?
cis-(1S,3R)-2-aminocyclohexane-1,3-diol has a molecular weight of 131.17 g/mol, XLogP of -0.78, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2-aminocyclohexane-1,3-diol is sourced from PubChem (CID 13375420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).