[(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid

C9H17NO3 — CID 90307661

IUPAC[(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid
SMILESO=C(O)N[C@@H](CO)C1CCCCC1
InChIInChI=1S/C9H17NO3/c11-6-8(10-9(12)13)7-4-2-1-3-5-7/h7-8,10-11H,1-6H2,(H,12,13)/t8-/m0/s1
InChIKeyCNWXQHIIZRDLGV-QMMMGPOBSA-N
MW187.24 g/mol
LogP1.20
Rot. Bonds3

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

[(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid (PubChem CID 90307661) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid
PubChem CID90307661
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid
SMILESO=C(O)N[C@@H](CO)C1CCCCC1
InChIInChI=1S/C9H17NO3/c11-6-8(10-9(12)13)7-4-2-1-3-5-7/h7-8,10-11H,1-6H2,(H,12,13)/t8-/m0/s1
InChIKeyCNWXQHIIZRDLGV-QMMMGPOBSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
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CID 61308259
2-cycloheptyl-3-hydroxypropanoic acid
CID 83817561
N-[(2R)-2-acetamido-2-cyclohexylethyl]acetamide
CID 10680769
2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
CID 119035659
N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide
CID 141444032
N-(1-cyclohexylpropyl)acetamide
CID 45119320
3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
CID 83637719
2-(cyclohexylamino)-2-(oxan-4-yl)ethanol
CID 62391437
N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide
CID 130723724
3-cyclohexyl-3-fluoropropanoic acid
CID 105435814
(8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide
CID 90303665

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid?
The IUPAC name of [(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid (CID 90307661) is [(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid.
What is the SMILES notation for [(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid?
The canonical SMILES for [(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid is O=C(O)N[C@@H](CO)C1CCCCC1.
What is the InChIKey of [(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid?
The InChIKey is CNWXQHIIZRDLGV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO3/c11-6-8(10-9(12)13)7-4-2-1-3-5-7/h7-8,10-11H,1-6H2,(H,12,13)/t8-/m0/s1.
What are the key properties of [(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid?
[(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid has a molecular weight of 187.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid is sourced from PubChem (CID 90307661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).