[(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid

C12H15NO3 — CID 87713871

IUPAC[(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)[C@@H](c1ccccc1)C1CO1
InChIInChI=1S/C12H15NO3/c1-8(13-12(14)15)11(10-7-16-10)9-5-3-2-4-6-9/h2-6,8,10-11,13H,7H2,1H3,(H,14,15)/t8?,10?,11-/m0/s1
InChIKeyZWVBTIFEPKFTHT-RFBVYIQQSA-N
MW221.26 g/mol
LogP1.83
Rot. Bonds4

About [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid

[(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid (PubChem CID 87713871) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid
PubChem CID87713871
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)[C@@H](c1ccccc1)C1CO1
InChIInChI=1S/C12H15NO3/c1-8(13-12(14)15)11(10-7-16-10)9-5-3-2-4-6-9/h2-6,8,10-11,13H,7H2,1H3,(H,14,15)/t8?,10?,11-/m0/s1
InChIKeyZWVBTIFEPKFTHT-RFBVYIQQSA-N
XLogP1.83
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid
CID 137464280
trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane
CID 101496989
2-(oxiran-2-yl)-1,2-diphenylethanone
CID 89270842
(1-chloro-2-phenylpropyl)carbamic acid
CID 70569655
[(1S)-2-(3-methylphenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamic acid
CID 87668971
N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine
CID 75504500
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173
(2R)-2-[(S)-bromo(phenyl)methyl]oxirane
CID 14961977
2-[(R)-fluoro(phenyl)methyl]oxirane
CID 87788232
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid (CID 87713871) is [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid is CC(NC(=O)O)[C@@H](c1ccccc1)C1CO1.
What is the InChIKey of [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid?
The InChIKey is ZWVBTIFEPKFTHT-RFBVYIQQSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(13-12(14)15)11(10-7-16-10)9-5-3-2-4-6-9/h2-6,8,10-11,13H,7H2,1H3,(H,14,15)/t8?,10?,11-/m0/s1.
What are the key properties of [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid?
[(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid has a molecular weight of 221.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 87713871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).