methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate

C11H15NO4 — CID 144634454

IUPACmethanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate
SMILESCO.COC(=O)N[C@H](C=O)c1ccccc1
InChIInChI=1S/C10H11NO3.CH4O/c1-14-10(13)11-9(7-12)8-5-3-2-4-6-8;1-2/h2-7,9H,1H3,(H,11,13);2H,1H3/t9-;/m1./s1
InChIKeyNXNQIESYKOCKHV-SBSPUUFOSA-N
MW225.24 g/mol
LogP0.89
Rot. Bonds3

About methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate

methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate (PubChem CID 144634454) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Namemethanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate
PubChem CID144634454
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate
SMILESCO.COC(=O)N[C@H](C=O)c1ccccc1
InChIInChI=1S/C10H11NO3.CH4O/c1-14-10(13)11-9(7-12)8-5-3-2-4-6-8;1-2/h2-7,9H,1H3,(H,11,13);2H,1H3/t9-;/m1./s1
InChIKeyNXNQIESYKOCKHV-SBSPUUFOSA-N
XLogP0.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide
CID 155715793
4-hydroxy-N-(2-oxo-1-phenylethyl)benzamide
CID 19816469
methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate
CID 13248569
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
methyl (2R,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate
CID 14027268
N-methyl-N-[(2-oxo-1-phenylethyl)carbamoyl]-4-phenylbenzamide
CID 23352245
tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate
CID 23293154
methyl N-[(1S)-1-phenyl-2-[(S)-phenylsulfinyl]ethyl]carbamate
CID 11034025
tert-butyl N-[1-(2-hydroxyphenyl)-2-oxoethyl]carbamate
CID 84729025
3,4-dihydroxy-N-(2-oxo-1-phenylethyl)benzamide
CID 23038061
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
methyl (E,4R,5S)-5-(methoxycarbonylamino)-4-methyl-5-phenylpent-2-enoate
CID 102524757

Frequently Asked Questions

What is the IUPAC name of methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate (CID 144634454) is methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate is CO.COC(=O)N[C@H](C=O)c1ccccc1.
What is the InChIKey of methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate?
The InChIKey is NXNQIESYKOCKHV-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11NO3.CH4O/c1-14-10(13)11-9(7-12)8-5-3-2-4-6-8;1-2/h2-7,9H,1H3,(H,11,13);2H,1H3/t9-;/m1./s1.
What are the key properties of methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate?
methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate has a molecular weight of 225.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 144634454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).