[1-(hydroxymethyl)cyclohexyl]carbamic acid

C8H15NO3 — CID 23143776

IUPAC[1-(hydroxymethyl)cyclohexyl]carbamic acid
SMILESO=C(O)NC1(CO)CCCCC1
InChIInChI=1S/C8H15NO3/c10-6-8(9-7(11)12)4-2-1-3-5-8/h9-10H,1-6H2,(H,11,12)
InChIKeyWTQSRZFDKKJEGN-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.95
Rot. Bonds2

About [1-(hydroxymethyl)cyclohexyl]carbamic acid

[1-(hydroxymethyl)cyclohexyl]carbamic acid (PubChem CID 23143776) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclohexyl]carbamic acid
PubChem CID23143776
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[1-(hydroxymethyl)cyclohexyl]carbamic acid
SMILESO=C(O)NC1(CO)CCCCC1
InChIInChI=1S/C8H15NO3/c10-6-8(9-7(11)12)4-2-1-3-5-8/h9-10H,1-6H2,(H,11,12)
InChIKeyWTQSRZFDKKJEGN-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclohexyl]carbamic acid?
The IUPAC name of [1-(hydroxymethyl)cyclohexyl]carbamic acid (CID 23143776) is [1-(hydroxymethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [1-(hydroxymethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [1-(hydroxymethyl)cyclohexyl]carbamic acid is O=C(O)NC1(CO)CCCCC1.
What is the InChIKey of [1-(hydroxymethyl)cyclohexyl]carbamic acid?
The InChIKey is WTQSRZFDKKJEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-6-8(9-7(11)12)4-2-1-3-5-8/h9-10H,1-6H2,(H,11,12).
What are the key properties of [1-(hydroxymethyl)cyclohexyl]carbamic acid?
[1-(hydroxymethyl)cyclohexyl]carbamic acid has a molecular weight of 173.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 23143776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).