[(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid

C11H19NO3 — CID 87814087

IUPAC[(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid
SMILESO=C(O)NC[C@@H](C1CCCCC1)C1CO1
InChIInChI=1S/C11H19NO3/c13-11(14)12-6-9(10-7-15-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10?/m0/s1
InChIKeyNAWHUSATLFPRKA-RGURZIINSA-N
MW213.28 g/mol
LogP1.85
Rot. Bonds4

About [(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid

[(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid (PubChem CID 87814087) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid
PubChem CID87814087
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid
SMILESO=C(O)NC[C@@H](C1CCCCC1)C1CO1
InChIInChI=1S/C11H19NO3/c13-11(14)12-6-9(10-7-15-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10?/m0/s1
InChIKeyNAWHUSATLFPRKA-RGURZIINSA-N
XLogP1.85
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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[3-(cyanomethylamino)-2-cyclohexyl-3-oxopropyl]carbamic acid
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CID 115662423
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2-cycloheptyl-3-hydroxypropanoic acid
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2-cycloheptylbutanoic acid
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[(2R)-2-cyclohexyl-3-[(3-hydroxyazepan-4-yl)amino]-3-oxopropyl]carbamic acid
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2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid?
The IUPAC name of [(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid (CID 87814087) is [(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid.
What is the SMILES notation for [(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid?
The canonical SMILES for [(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid is O=C(O)NC[C@@H](C1CCCCC1)C1CO1.
What is the InChIKey of [(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid?
The InChIKey is NAWHUSATLFPRKA-RGURZIINSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(14)12-6-9(10-7-15-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10?/m0/s1.
What are the key properties of [(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid?
[(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid has a molecular weight of 213.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-cyclohexyl-2-(oxiran-2-yl)ethyl]carbamic acid is sourced from PubChem (CID 87814087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).