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

C12H23NO3 — CID 67123403

IUPAC[(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid
SMILESCC(C)(C)[C@@]1(NC(=O)O)CCC[C@@H](CO)C1
InChIInChI=1S/C12H23NO3/c1-11(2,3)12(13-10(15)16)6-4-5-9(7-12)8-14/h9,13-14H,4-8H2,1-3H3,(H,15,16)/t9-,12-/m1/s1
InChIKeyMDPIGVBARSXIAT-BXKDBHETSA-N
MW229.32 g/mol
LogP2.22
Rot. Bonds2

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

[(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid (PubChem CID 67123403) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid
PubChem CID67123403
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid
SMILESCC(C)(C)[C@@]1(NC(=O)O)CCC[C@@H](CO)C1
InChIInChI=1S/C12H23NO3/c1-11(2,3)12(13-10(15)16)6-4-5-9(7-12)8-14/h9,13-14H,4-8H2,1-3H3,(H,15,16)/t9-,12-/m1/s1
InChIKeyMDPIGVBARSXIAT-BXKDBHETSA-N
XLogP2.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1R,3R)-1-tert-butyl-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 [(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid?
The IUPAC name of [(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid (CID 67123403) is [(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid is CC(C)(C)[C@@]1(NC(=O)O)CCC[C@@H](CO)C1.
What is the InChIKey of [(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid?
The InChIKey is MDPIGVBARSXIAT-BXKDBHETSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,3)12(13-10(15)16)6-4-5-9(7-12)8-14/h9,13-14H,4-8H2,1-3H3,(H,15,16)/t9-,12-/m1/s1.
What are the key properties of [(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid?
[(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid has a molecular weight of 229.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 67123403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).