2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid

C15H21NO3 — CID 119187916

IUPAC2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
SMILESCC(C)(NC(=O)CC(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-14(2,11-8-6-5-7-9-11)10-12(17)16-15(3,4)13(18)19/h5-9H,10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyOYYWEHDTFHPCTO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.33
Rot. Bonds5

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

2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid (PubChem CID 119187916) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
PubChem CID119187916
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
SMILESCC(C)(NC(=O)CC(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-14(2,11-8-6-5-7-9-11)10-12(17)16-15(3,4)13(18)19/h5-9H,10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyOYYWEHDTFHPCTO-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid
CID 119204659
N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide
CID 119571116
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
CID 110306885
N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
CID 110309467
N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
CID 110309389
N-(4-acetamidobutyl)-3-methyl-3-phenylbutanamide
CID 110356790
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide
CID 139254557
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid
CID 61262989
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methyl-3-phenylbutanamide
CID 96539664
N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide
CID 110295213
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid (CID 119187916) is 2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid is CC(C)(NC(=O)CC(C)(C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid?
The InChIKey is OYYWEHDTFHPCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-14(2,11-8-6-5-7-9-11)10-12(17)16-15(3,4)13(18)19/h5-9H,10H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid?
2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 119187916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).