2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid

C15H22N2O3 — CID 61162163

IUPAC2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)C(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-15(2,3)12(14(19)20)17-13(18)11(16)9-10-7-5-4-6-8-10/h4-8,11-12H,9,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeySBUVTFJPDQEVDV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.17
Rot. Bonds5

About 2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid

2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 61162163) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid
PubChem CID61162163
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)C(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-15(2,3)12(14(19)20)17-13(18)11(16)9-10-7-5-4-6-8-10/h4-8,11-12H,9,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeySBUVTFJPDQEVDV-UHFFFAOYSA-N
XLogP1.17
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-phenylpropanoic acid
CID 61174366
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
CID 169433659
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869775
methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoate
CID 11771430
(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide
CID 122228094

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid (CID 61162163) is 2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)C(N)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is SBUVTFJPDQEVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)12(14(19)20)17-13(18)11(16)9-10-7-5-4-6-8-10/h4-8,11-12H,9,16H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid?
2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61162163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).