3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid

C15H21NO3 — CID 55105588

IUPAC3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-10(14(18)19)9-16-13(17)11-5-7-12(8-6-11)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMFOGCFDVZVWXLO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.43
Rot. Bonds4

About 3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid

3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid (PubChem CID 55105588) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
PubChem CID55105588
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-10(14(18)19)9-16-13(17)11-5-7-12(8-6-11)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMFOGCFDVZVWXLO-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 119237337
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016
2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid
CID 62675301
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
3-[(3-chloro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 63194263
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
3-[4-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120540687
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
3-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonylamino)-2-methylpropanoic acid
CID 120525695
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid (CID 55105588) is 3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid is CC(CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is MFOGCFDVZVWXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(14(18)19)9-16-13(17)11-5-7-12(8-6-11)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid?
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55105588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).