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

C10H11NO4 — CID 766450

IUPACmethyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
SMILESCOC(=O)N[C@H](O)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO4/c1-15-10(14)11-9(13)8(12)7-5-3-2-4-6-7/h2-6,9,13H,1H3,(H,11,14)/t9-/m1/s1
InChIKeyGSWSWFNVEVSOJC-SECBINFHSA-N
MW209.20 g/mol
LogP0.54
Rot. Bonds3

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

methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate (PubChem CID 766450) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
PubChem CID766450
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
SMILESCOC(=O)N[C@H](O)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO4/c1-15-10(14)11-9(13)8(12)7-5-3-2-4-6-7/h2-6,9,13H,1H3,(H,11,14)/t9-/m1/s1
InChIKeyGSWSWFNVEVSOJC-SECBINFHSA-N
XLogP0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.54
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

benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
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methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate
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methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
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methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate
CID 4084181
methyl N-[(1S)-1-(2-chloroanilino)-2-oxo-2-phenylethyl]carbamate
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methyl 2-bromo-3-oxo-3-phenylpropanoate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate?
The IUPAC name of methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate (CID 766450) is methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate?
The canonical SMILES for methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate is COC(=O)N[C@H](O)C(=O)c1ccccc1.
What is the InChIKey of methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate?
The InChIKey is GSWSWFNVEVSOJC-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-10(14)11-9(13)8(12)7-5-3-2-4-6-7/h2-6,9,13H,1H3,(H,11,14)/t9-/m1/s1.
What are the key properties of methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate?
methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate has a molecular weight of 209.20 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate is sourced from PubChem (CID 766450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).