[(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate

C14H18N2O4 — CID 89428474

IUPAC[(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate
SMILESNC(=O)O[C@@H](Cc1ccccc1)C(=O)N1CCCCO1
InChIInChI=1S/C14H18N2O4/c15-14(18)20-12(10-11-6-2-1-3-7-11)13(17)16-8-4-5-9-19-16/h1-3,6-7,12H,4-5,8-10H2,(H2,15,18)/t12-/m0/s1
InChIKeyDKMHIEAAWCIYFH-LBPRGKRZSA-N
MW278.31 g/mol
LogP1.25
Rot. Bonds4

About [(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate

[(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate (PubChem CID 89428474) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate
PubChem CID89428474
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate
SMILESNC(=O)O[C@@H](Cc1ccccc1)C(=O)N1CCCCO1
InChIInChI=1S/C14H18N2O4/c15-14(18)20-12(10-11-6-2-1-3-7-11)13(17)16-8-4-5-9-19-16/h1-3,6-7,12H,4-5,8-10H2,(H2,15,18)/t12-/m0/s1
InChIKeyDKMHIEAAWCIYFH-LBPRGKRZSA-N
XLogP1.25
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one
CID 104984760
[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate
CID 175124615
carbamoyl 2-carbamoyloxy-3-phenylpropanoate
CID 158081056
1-(oxazinan-2-yl)-4-phenylbutan-1-one
CID 113375900
2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70053583
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate
CID 18638949
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
CID 175073150
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate
CID 18638958
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053
(2S)-2-(2-acetyldiazinane-1-carbonyl)oxy-3-phenylpropanoic acid
CID 18638843
methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate
CID 70054611

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate?
The IUPAC name of [(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate (CID 89428474) is [(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate is NC(=O)O[C@@H](Cc1ccccc1)C(=O)N1CCCCO1.
What is the InChIKey of [(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate?
The InChIKey is DKMHIEAAWCIYFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-14(18)20-12(10-11-6-2-1-3-7-11)13(17)16-8-4-5-9-19-16/h1-3,6-7,12H,4-5,8-10H2,(H2,15,18)/t12-/m0/s1.
What are the key properties of [(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate?
[(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate has a molecular weight of 278.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate is sourced from PubChem (CID 89428474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).