2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid

C15H21NO3 — CID 119223810

IUPAC2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid
SMILESCCC(NC(=O)C(C)(C)c1ccccc1C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-5-12(13(17)18)16-14(19)15(3,4)11-9-7-6-8-10(11)2/h6-9,12H,5H2,1-4H3,(H,16,19)(H,17,18)
InChIKeySMIPXVCZAKFGBS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.25
Rot. Bonds5

About 2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid

2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid (PubChem CID 119223810) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid
PubChem CID119223810
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid
SMILESCCC(NC(=O)C(C)(C)c1ccccc1C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-5-12(13(17)18)16-14(19)15(3,4)11-9-7-6-8-10(11)2/h6-9,12H,5H2,1-4H3,(H,16,19)(H,17,18)
InChIKeySMIPXVCZAKFGBS-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid
CID 119237236
2-[(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)amino]butanoic acid
CID 166390672
2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43387414
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781
N-(2-amino-1-cyclohexylethyl)-2-methyl-2-(2-methylphenyl)propanamide
CID 119590911
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 79006992
2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid
CID 62835349
2-(2,2-dimethylbutanoylamino)-3-phenylpropanoic acid
CID 55102814
3-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]propanoic acid
CID 119252418
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 62836653
(2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid
CID 119363223
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid?
The IUPAC name of 2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid (CID 119223810) is 2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid is CCC(NC(=O)C(C)(C)c1ccccc1C)C(=O)O.
What is the InChIKey of 2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid?
The InChIKey is SMIPXVCZAKFGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-12(13(17)18)16-14(19)15(3,4)11-9-7-6-8-10(11)2/h6-9,12H,5H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid?
2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 119223810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).