2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid

C16H22N2O3 — CID 102779763

IUPAC2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
SMILESCC1CCNC1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-10-8-9-17-13(10)14(19)18-12-6-4-11(5-7-12)16(2,3)15(20)21/h4-7,10,13,17H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyXZIOYJOPNVIJDZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid

2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid (PubChem CID 102779763) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
PubChem CID102779763
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
SMILESCC1CCNC1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-10-8-9-17-13(10)14(19)18-12-6-4-11(5-7-12)16(2,3)15(20)21/h4-7,10,13,17H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyXZIOYJOPNVIJDZ-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid
CID 80549547
3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 102778116
2-[4-(azetidine-3-carbonylamino)phenyl]-2-methylpropanoic acid
CID 80554661
3-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]butanoic acid
CID 102780012
N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102778093
2-bromo-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779861
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778074
2-methyl-2-[4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]propanoic acid
CID 80549468
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 102777495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid (CID 102779763) is 2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid is CC1CCNC1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is XZIOYJOPNVIJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-8-9-17-13(10)14(19)18-12-6-4-11(5-7-12)16(2,3)15(20)21/h4-7,10,13,17H,8-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 102779763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).