(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione

C15H18N2O7 — CID 174974607

IUPAC(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione
SMILESN[C@@H](CC(=O)OCc1ccccc1)C(=O)O.O=C1CC(O)C(=O)N1
InChIInChI=1S/C11H13NO4.C4H5NO3/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8;6-2-1-3(7)5-4(2)8/h1-5,9H,6-7,12H2,(H,14,15);2,6H,1H2,(H,5,7,8)/t9-;/m0./s1
InChIKeyYWMYYCILNREUJY-FVGYRXGTSA-N
MW338.32 g/mol
LogP-1.07
Rot. Bonds5

About (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione

(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione (PubChem CID 174974607) has the molecular formula C15H18N2O7 and a molecular weight of 338.32 g/mol. Its IUPAC name is (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione
PubChem CID174974607
Molecular FormulaC15H18N2O7
Molecular Weight338.32 g/mol
Exact Mass338.11
IUPAC Name(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione
SMILESN[C@@H](CC(=O)OCc1ccccc1)C(=O)O.O=C1CC(O)C(=O)N1
InChIInChI=1S/C11H13NO4.C4H5NO3/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8;6-2-1-3(7)5-4(2)8/h1-5,9H,6-7,12H2,(H,14,15);2,6H,1H2,(H,5,7,8)/t9-;/m0./s1
InChIKeyYWMYYCILNREUJY-FVGYRXGTSA-N
XLogP-1.07
TPSA156.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione with MolForge

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Related Compounds

2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane
CID 142141424
(2,5-dioxopyrrolidin-3-yl) (2S)-2-amino-3-phenylpropanoate
CID 67794422
benzyl 4-amino-3-methylpentanoate
CID 174893438
benzyl (3S)-3-amino-4-(cyclohexylamino)-4-oxobutanoate
CID 165352812
benzyl 3-amino-4-(cyclododecylamino)-4-oxobutanoate
CID 14373253
benzyl (3S)-3-aminopentanoate
CID 89472657
4-O-benzyl 1-O-(2-phenylethyl) (2R)-2-aminobutanedioate
CID 125471458
5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid
CID 11334957
dibenzyl 3-hydroxypentanedioate
CID 23067924
(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate
CID 67874309
(2S)-2-amino-4-[(4-ethenylphenyl)methoxy]-4-oxobutanoic acid
CID 102125035
(2S)-2-amino-4-oxo-4-(5-phenylpentoxy)butanoic acid
CID 101180760

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione (CID 174974607) is (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione is N[C@@H](CC(=O)OCc1ccccc1)C(=O)O.O=C1CC(O)C(=O)N1.
What is the InChIKey of (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione?
The InChIKey is YWMYYCILNREUJY-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H13NO4.C4H5NO3/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8;6-2-1-3(7)5-4(2)8/h1-5,9H,6-7,12H2,(H,14,15);2,6H,1H2,(H,5,7,8)/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione?
(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione has a molecular weight of 338.32 g/mol, XLogP of -1.07, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 174974607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).