2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid

C15H20N2O3 — CID 119348543

IUPAC2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
SMILESCc1ccc(N2CCCC2)c(C(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-10-5-6-13(17-7-3-4-8-17)12(9-10)14(18)16-11(2)15(19)20/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyVXZIEGUWLLZYQY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.80
Rot. Bonds4

About 2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid

2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid (PubChem CID 119348543) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
PubChem CID119348543
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
SMILESCc1ccc(N2CCCC2)c(C(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-10-5-6-13(17-7-3-4-8-17)12(9-10)14(18)16-11(2)15(19)20/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyVXZIEGUWLLZYQY-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 111484468
2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 24700633
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
2-methyl-3-[methyl-(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 122111662
2-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]propanoic acid
CID 120523708
5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4544278
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167
1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine
CID 145007823
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798
N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065110
2-(4-acetyl-1,4-diazepan-1-yl)-5-methylbenzoic acid
CID 62515359
N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 119516134

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid (CID 119348543) is 2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid is Cc1ccc(N2CCCC2)c(C(=O)NC(C)C(=O)O)c1.
What is the InChIKey of 2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid?
The InChIKey is VXZIEGUWLLZYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-6-13(17-7-3-4-8-17)12(9-10)14(18)16-11(2)15(19)20/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid?
2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 119348543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).