3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid

C17H17NO4 — CID 174524672

IUPAC3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid
SMILESCOC(C(=O)O)C(N)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-22-15(16(20)21)17(18,13-10-6-3-7-11-13)14(19)12-8-4-2-5-9-12/h2-11,15H,18H2,1H3,(H,20,21)
InChIKeyBDCGZARZNZPRNO-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.82
Rot. Bonds6

About 3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid

3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid (PubChem CID 174524672) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid.

Molecular Properties

Compound Name3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid
PubChem CID174524672
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid
SMILESCOC(C(=O)O)C(N)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-22-15(16(20)21)17(18,13-10-6-3-7-11-13)14(19)12-8-4-2-5-9-12/h2-11,15H,18H2,1H3,(H,20,21)
InChIKeyBDCGZARZNZPRNO-UHFFFAOYSA-N
XLogP1.82
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
CID 70380510
(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
CID 102359954
2,2-dimethoxy-1,2-diphenylethanone;molecular iodine
CID 161260552
3-amino-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-phenylbutanoic acid
CID 77323942
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100
2-chloro-1,2,2-triphenylethanone
CID 11301235
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
CID 641430
methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
2,2-bis(2-methoxyethoxy)-1,2-diphenylethanone
CID 14762562
2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one
CID 13184442
2-amino-2-nitro-1,2-diphenylethanone
CID 174848999

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid?
The IUPAC name of 3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid (CID 174524672) is 3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid.
What is the SMILES notation for 3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid?
The canonical SMILES for 3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid is COC(C(=O)O)C(N)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid?
The InChIKey is BDCGZARZNZPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-22-15(16(20)21)17(18,13-10-6-3-7-11-13)14(19)12-8-4-2-5-9-12/h2-11,15H,18H2,1H3,(H,20,21).
What are the key properties of 3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid?
3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid has a molecular weight of 299.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid is sourced from PubChem (CID 174524672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).