(4-hydroxy-1-methylcyclohexyl)carbamic acid

C8H15NO3 — CID 22379835

IUPAC(4-hydroxy-1-methylcyclohexyl)carbamic acid
SMILESCC1(NC(=O)O)CCC(O)CC1
InChIInChI=1S/C8H15NO3/c1-8(9-7(11)12)4-2-6(10)3-5-8/h6,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyXIPCNOINPJBEGO-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.95
Rot. Bonds1

About (4-hydroxy-1-methylcyclohexyl)carbamic acid

(4-hydroxy-1-methylcyclohexyl)carbamic acid (PubChem CID 22379835) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4-hydroxy-1-methylcyclohexyl)carbamic acid.

Molecular Properties

Compound Name(4-hydroxy-1-methylcyclohexyl)carbamic acid
PubChem CID22379835
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4-hydroxy-1-methylcyclohexyl)carbamic acid
SMILESCC1(NC(=O)O)CCC(O)CC1
InChIInChI=1S/C8H15NO3/c1-8(9-7(11)12)4-2-6(10)3-5-8/h6,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyXIPCNOINPJBEGO-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-methylcyclohexyl)carbamic acid?
The IUPAC name of (4-hydroxy-1-methylcyclohexyl)carbamic acid (CID 22379835) is (4-hydroxy-1-methylcyclohexyl)carbamic acid.
What is the SMILES notation for (4-hydroxy-1-methylcyclohexyl)carbamic acid?
The canonical SMILES for (4-hydroxy-1-methylcyclohexyl)carbamic acid is CC1(NC(=O)O)CCC(O)CC1.
What is the InChIKey of (4-hydroxy-1-methylcyclohexyl)carbamic acid?
The InChIKey is XIPCNOINPJBEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(9-7(11)12)4-2-6(10)3-5-8/h6,9-10H,2-5H2,1H3,(H,11,12).
What are the key properties of (4-hydroxy-1-methylcyclohexyl)carbamic acid?
(4-hydroxy-1-methylcyclohexyl)carbamic acid has a molecular weight of 173.21 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-methylcyclohexyl)carbamic acid is sourced from PubChem (CID 22379835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).