2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid

C15H18N2O6 — CID 139916418

IUPAC2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CCC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C15H18N2O6/c18-12(16-8-14(20)21)6-7-13(19)17-9-15(22)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyLFONECRLFVGOCC-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.17
Rot. Bonds9

About 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid

2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid (PubChem CID 139916418) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
PubChem CID139916418
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CCC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C15H18N2O6/c18-12(16-8-14(20)21)6-7-13(19)17-9-15(22)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyLFONECRLFVGOCC-UHFFFAOYSA-N
XLogP-0.17
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid with MolForge

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Related Compounds

2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid
CID 121350347
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]acetate
CID 26878237
benzyl 2-(oct-7-enoylamino)acetate
CID 71697886
benzyl 2-[[6-(2,5-dioxohexylamino)-4,6-dioxohexanoyl]amino]acetate
CID 158057787
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate
CID 31949955
benzyl 2-[3-(3-chlorophenyl)propanoylamino]acetate
CID 51280706
benzyl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]acetate
CID 26263009
benzyl 2-(4-thiophen-2-ylbutanoylamino)acetate
CID 7980390

Frequently Asked Questions

What is the IUPAC name of 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid?
The IUPAC name of 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid (CID 139916418) is 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid is O=C(O)CNC(=O)CCC(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid?
The InChIKey is LFONECRLFVGOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c18-12(16-8-14(20)21)6-7-13(19)17-9-15(22)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid?
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid has a molecular weight of 322.32 g/mol, XLogP of -0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid is sourced from PubChem (CID 139916418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).