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

C11H14N2O4 — CID 174753474

IUPAC[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
SMILESNC(=O)O[C@@H](COCc1ccccc1)C(N)=O
InChIInChI=1S/C11H14N2O4/c12-10(14)9(17-11(13)15)7-16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)/t9-/m0/s1
InChIKeyUNJBXSVDCKEDRF-VIFPVBQESA-N
MW238.24 g/mol
LogP0.15
Rot. Bonds6

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

[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate (PubChem CID 174753474) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
PubChem CID174753474
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
SMILESNC(=O)O[C@@H](COCc1ccccc1)C(N)=O
InChIInChI=1S/C11H14N2O4/c12-10(14)9(17-11(13)15)7-16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)/t9-/m0/s1
InChIKeyUNJBXSVDCKEDRF-VIFPVBQESA-N
XLogP0.15
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride
CID 11447576
[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
CID 175249859
(1-carboxy-2-phenylmethoxyethyl)azanide;platinum(2+)
CID 20617400
carbamoyl 2-carbamoyloxy-3-phenylpropanoate
CID 158081056
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(4S)-4-amino-5-phenylmethoxypentanamide
CID 90463454
2-phenylmethoxyethane-1,1-diol
CID 59866645
benzyl carbamate;heptahydrochloride
CID 141351835
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
[(2R,3S,4S)-2,3,4-triacetyloxy-5-phenylmethoxypentyl] acetate
CID 101133703
3-phenylmethoxy-2-(trifluoromethylsulfonyloxy)propanoic acid
CID 174204150
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
CID 151037448

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate?
The IUPAC name of [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate (CID 174753474) is [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate is NC(=O)O[C@@H](COCc1ccccc1)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate?
The InChIKey is UNJBXSVDCKEDRF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O4/c12-10(14)9(17-11(13)15)7-16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)/t9-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate?
[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate has a molecular weight of 238.24 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate is sourced from PubChem (CID 174753474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).