benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate

C16H15NO4 — CID 27308455

IUPACbenzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
SMILESO=C(N[C@H](O)C(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-14(13-9-5-2-6-10-13)15(19)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,15,19H,11H2,(H,17,20)/t15-/m1/s1
InChIKeyUWEUBMRRBZVJCL-OAHLLOKOSA-N
MW285.30 g/mol
LogP2.11
Rot. Bonds5

About benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate

benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate (PubChem CID 27308455) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
PubChem CID27308455
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namebenzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
SMILESO=C(N[C@H](O)C(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-14(13-9-5-2-6-10-13)15(19)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,15,19H,11H2,(H,17,20)/t15-/m1/s1
InChIKeyUWEUBMRRBZVJCL-OAHLLOKOSA-N
XLogP2.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
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benzyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
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benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
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benzyl N-(4-hydroxyhexan-3-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate (CID 27308455) is benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate is O=C(N[C@H](O)C(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate?
The InChIKey is UWEUBMRRBZVJCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15NO4/c18-14(13-9-5-2-6-10-13)15(19)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,15,19H,11H2,(H,17,20)/t15-/m1/s1.
What are the key properties of benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate?
benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate has a molecular weight of 285.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate is sourced from PubChem (CID 27308455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).