2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid

C18H20N2O3 — CID 22035241

IUPAC2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid
SMILESNC(=O)C(CC(c1ccccc1)c1ccccc1)NCC(=O)O
InChIInChI=1S/C18H20N2O3/c19-18(23)16(20-12-17(21)22)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H2,19,23)(H,21,22)
InChIKeyNJUFSPGTUGUPBJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.74
Rot. Bonds8

About 2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid

2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid (PubChem CID 22035241) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid
PubChem CID22035241
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid
SMILESNC(=O)C(CC(c1ccccc1)c1ccccc1)NCC(=O)O
InChIInChI=1S/C18H20N2O3/c19-18(23)16(20-12-17(21)22)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H2,19,23)(H,21,22)
InChIKeyNJUFSPGTUGUPBJ-UHFFFAOYSA-N
XLogP1.74
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43135143
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
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CID 14093660
2-(3-phenylbutylamino)butanamide
CID 55153879
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
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sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 173391415
3-(benzhydrylamino)-2-methylpropanamide
CID 43312171
2-(2-methylprop-2-enylamino)-3-phenylpropanamide
CID 67567715
2-[(1-amino-1-oxobutan-2-yl)amino]-2-phenylacetic acid
CID 62901018
2-(1-phenylethylamino)butanamide
CID 62899453
2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid
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(2S)-5-amino-2-(1-phenylethylamino)pentanamide
CID 141009409

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid?
The IUPAC name of 2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid (CID 22035241) is 2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid is NC(=O)C(CC(c1ccccc1)c1ccccc1)NCC(=O)O.
What is the InChIKey of 2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid?
The InChIKey is NJUFSPGTUGUPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c19-18(23)16(20-12-17(21)22)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H2,19,23)(H,21,22).
What are the key properties of 2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid?
2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid has a molecular weight of 312.37 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid is sourced from PubChem (CID 22035241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).