3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid

C9H12N2O4 — CID 70678746

IUPAC3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCCC(=O)O)n(O)c1
InChIInChI=1S/C9H12N2O4/c1-6-4-7(11(15)5-6)9(14)10-3-2-8(12)13/h4-5,15H,2-3H2,1H3,(H,10,14)(H,12,13)
InChIKeyFOPVYEUKBVIKFE-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.24
Rot. Bonds4

About 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid

3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 70678746) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID70678746
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCCC(=O)O)n(O)c1
InChIInChI=1S/C9H12N2O4/c1-6-4-7(11(15)5-6)9(14)10-3-2-8(12)13/h4-5,15H,2-3H2,1H3,(H,10,14)(H,12,13)
InChIKeyFOPVYEUKBVIKFE-UHFFFAOYSA-N
XLogP0.24
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide
CID 140567735
N-(2-methoxyethyl)-1,4-dimethylpyrrole-2-carboxamide
CID 59268176
3-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carbonyl]amino]propanoic acid
CID 43169959
3-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
CID 119351480
3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
4-[(4-carbamoyl-1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 119352577
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
3-[(2,5-dimethyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 110835922
7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid
CID 28791167
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid (CID 70678746) is 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid is Cc1cc(C(=O)NCCC(=O)O)n(O)c1.
What is the InChIKey of 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is FOPVYEUKBVIKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-4-7(11(15)5-6)9(14)10-3-2-8(12)13/h4-5,15H,2-3H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid?
3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 70678746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).