(1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate

C15H21NO4 — CID 59575428

IUPAC(1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate
SMILESCC(OC(=O)C(N)C(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-10(2)13(16)15(18)20-11(3)14(17)19-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9,16H2,1-3H3
InChIKeyUAGSBCSONCLXRE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.64
Rot. Bonds6

About (1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate

(1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate (PubChem CID 59575428) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name(1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate
PubChem CID59575428
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate
SMILESCC(OC(=O)C(N)C(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-10(2)13(16)15(18)20-11(3)14(17)19-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9,16H2,1-3H3
InChIKeyUAGSBCSONCLXRE-UHFFFAOYSA-N
XLogP1.64
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
(1-oxo-1-phenylmethoxypropan-2-yl) 3-methyl-2-(methylamino)butanoate
CID 59575434
[(2R)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl] benzoate
CID 125121015
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
1-O-methyl 2-O-(1-oxo-1-phenylmethoxypropan-2-yl) oxalate
CID 172654611
benzyl (2S)-2-aminopropanoate
CID 726858
[(2S)-1-oxo-1-phenylmethoxypropan-2-yl] (2S,4S,6S)-6-[(2S)-2-hydroxypropanoyl]oxy-2,4-dimethyl-3,5-dioxoheptanoate
CID 156757406
(2R,3R)-2,3-diacetyloxy-4-oxo-4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxybutanoic acid
CID 122670394
(2R,3R)-2,3-diacetyloxy-4-oxo-4-(1-oxo-1-phenylmethoxypropan-2-yl)oxybutanoic acid
CID 122670397
benzyl 2-amino-2-hydroxyacetate
CID 123342440

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate?
The IUPAC name of (1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate (CID 59575428) is (1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate.
What is the SMILES notation for (1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate?
The canonical SMILES for (1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate is CC(OC(=O)C(N)C(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of (1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate?
The InChIKey is UAGSBCSONCLXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)13(16)15(18)20-11(3)14(17)19-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9,16H2,1-3H3.
What are the key properties of (1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate?
(1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate has a molecular weight of 279.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate is sourced from PubChem (CID 59575428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).