3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid

C15H16N2O3 — CID 62883509

IUPAC3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESCn1cccc1C(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-17-9-5-8-13(17)14(18)16-10-12(15(19)20)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H,16,18)(H,19,20)
InChIKeyFBTRREGIQJYZGZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.62
Rot. Bonds5

About 3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid

3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 62883509) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID62883509
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESCn1cccc1C(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-17-9-5-8-13(17)14(18)16-10-12(15(19)20)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H,16,18)(H,19,20)
InChIKeyFBTRREGIQJYZGZ-UHFFFAOYSA-N
XLogP1.62
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
CID 43391337
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
methyl (2S)-2-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoate
CID 99837242
3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-2-phenylpropanoic acid
CID 119254613
3-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 119254949
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
3-[(2-methylsulfanylacetyl)amino]-2-phenylpropanoic acid
CID 62883515
2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120528817
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid (CID 62883509) is 3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid is Cn1cccc1C(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is FBTRREGIQJYZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17-9-5-8-13(17)14(18)16-10-12(15(19)20)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid?
3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 272.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62883509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).