2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid

C15H22N2O3 — CID 64582261

IUPAC2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
SMILESCC(=O)NC(CNCC(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(18)17-13(14(19)20)9-16-10-15(2,3)12-7-5-4-6-8-12/h4-8,13,16H,9-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyGRSIGKCHBJXYOI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.14
Rot. Bonds7

About 2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid

2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid (PubChem CID 64582261) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
PubChem CID64582261
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
SMILESCC(=O)NC(CNCC(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(18)17-13(14(19)20)9-16-10-15(2,3)12-7-5-4-6-8-12/h4-8,13,16H,9-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyGRSIGKCHBJXYOI-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
CID 64583872
2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
CID 115256315
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115256328
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 113350453
3-[[2-(3-fluorophenyl)-2-methylpropyl]amino]-2-(methylamino)propanoic acid
CID 115256325
2-acetamido-3-(3-phenoxypropylamino)propanoic acid
CID 64580883
2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid
CID 106899650
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
2-acetamido-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]propanoic acid
CID 106247273
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid (CID 64582261) is 2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid is CC(=O)NC(CNCC(C)(C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid?
The InChIKey is GRSIGKCHBJXYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(18)17-13(14(19)20)9-16-10-15(2,3)12-7-5-4-6-8-12/h4-8,13,16H,9-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid?
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid is sourced from PubChem (CID 64582261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).