[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid

C8H15NO3 — CID 141194189

IUPAC[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC[C@H]1CO
InChIInChI=1S/C8H15NO3/c10-5-6-3-1-2-4-7(6)9-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7+/m0/s1
InChIKeyKVMGCSOXRFEJFT-NKWVEPMBSA-N
MW173.21 g/mol
LogP0.81
Rot. Bonds2

About [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid

[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid (PubChem CID 141194189) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
PubChem CID141194189
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC[C@H]1CO
InChIInChI=1S/C8H15NO3/c10-5-6-3-1-2-4-7(6)9-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7+/m0/s1
InChIKeyKVMGCSOXRFEJFT-NKWVEPMBSA-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

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Related Compounds

[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
2-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethoxy]acetic acid
CID 106359300
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide
CID 103860466
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
(2R)-N-[2-(hydroxymethyl)cyclohexyl]piperidine-2-carboxamide
CID 114178725
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid
CID 154997614
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid?
The IUPAC name of [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid (CID 141194189) is [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid is O=C(O)N[C@@H]1CCCC[C@H]1CO.
What is the InChIKey of [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid?
The InChIKey is KVMGCSOXRFEJFT-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-6-3-1-2-4-7(6)9-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid?
[(1R,2R)-2-(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 [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 141194189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).