[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate

C11H13NO4 — CID 175249859

IUPAC[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
SMILESNC(=O)O[C@@H](C=O)COCc1ccccc1
InChIInChI=1S/C11H13NO4/c12-11(14)16-10(6-13)8-15-7-9-4-2-1-3-5-9/h1-6,10H,7-8H2,(H2,12,14)/t10-/m0/s1
InChIKeyHOJPDDODMBMYMA-JTQLQIEISA-N
MW223.23 g/mol
LogP0.87
Rot. Bonds6

About [(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate

[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate (PubChem CID 175249859) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is [(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
PubChem CID175249859
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
SMILESNC(=O)O[C@@H](C=O)COCc1ccccc1
InChIInChI=1S/C11H13NO4/c12-11(14)16-10(6-13)8-15-7-9-4-2-1-3-5-9/h1-6,10H,7-8H2,(H2,12,14)/t10-/m0/s1
InChIKeyHOJPDDODMBMYMA-JTQLQIEISA-N
XLogP0.87
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
CID 174753474
[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride
CID 11447576
(1-oxo-3-phenylmethoxypropan-2-yl) methanesulfonate
CID 174250486
(2S)-2-[(E)-but-2-enoxy]-3-phenylmethoxypropanal
CID 10857375
3,3,3-trifluoro-2-(phenylmethoxymethyl)propanoic acid
CID 23113141
[(2S)-4-methyl-1-oxo-4-phenylpentan-2-yl] carbamate
CID 87659192
2-amino-2-methyl-N-(1-oxo-3-phenylmethoxypropan-2-yl)propanamide
CID 56998841
[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate
CID 10264907
acetic acid;phenylmethoxymethylbenzene
CID 175214238
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
2-amino-2-(phenylmethoxymethyl)butanediamide
CID 69284730
(4S)-4-amino-5-phenylmethoxypentanamide
CID 90463454

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate?
The IUPAC name of [(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate (CID 175249859) is [(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate.
What is the SMILES notation for [(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate?
The canonical SMILES for [(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate is NC(=O)O[C@@H](C=O)COCc1ccccc1.
What is the InChIKey of [(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate?
The InChIKey is HOJPDDODMBMYMA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO4/c12-11(14)16-10(6-13)8-15-7-9-4-2-1-3-5-9/h1-6,10H,7-8H2,(H2,12,14)/t10-/m0/s1.
What are the key properties of [(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate?
[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate has a molecular weight of 223.23 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate is sourced from PubChem (CID 175249859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).