methyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate

C10H11NO4 — CID 2834556

IUPACmethyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate
SMILESCOC(=O)NC(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)
InChIKeyGSWSWFNVEVSOJC-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.54
Rot. Bonds3

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

methyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate (PubChem CID 2834556) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate
PubChem CID2834556
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate
SMILESCOC(=O)NC(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)
InChIKeyGSWSWFNVEVSOJC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate?
The IUPAC name of methyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate (CID 2834556) is methyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate.
What is the SMILES notation for methyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate?
The canonical SMILES for methyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate is COC(=O)NC(O)C(=O)c1ccccc1.
What is the InChIKey of methyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate?
The InChIKey is GSWSWFNVEVSOJC-UHFFFAOYSA-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).
What are the key properties of methyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate?
methyl N-(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-(1-hydroxy-2-oxo-2-phenylethyl)carbamate is sourced from PubChem (CID 2834556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).