3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid

C9H12N2O3 — CID 10559783

IUPAC3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccc[nH]1
InChIInChI=1S/C9H12N2O3/c1-11(6-4-8(12)13)9(14)7-3-2-5-10-7/h2-3,5,10H,4,6H2,1H3,(H,12,13)
InChIKeyUXJADJREKSIQDC-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.56
Rot. Bonds4

About 3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid

3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 10559783) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid
PubChem CID10559783
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccc[nH]1
InChIInChI=1S/C9H12N2O3/c1-11(6-4-8(12)13)9(14)7-3-2-5-10-7/h2-3,5,10H,4,6H2,1H3,(H,12,13)
InChIKeyUXJADJREKSIQDC-UHFFFAOYSA-N
XLogP0.56
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid (CID 10559783) is 3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1ccc[nH]1.
What is the InChIKey of 3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is UXJADJREKSIQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11(6-4-8(12)13)9(14)7-3-2-5-10-7/h2-3,5,10H,4,6H2,1H3,(H,12,13).
What are the key properties of 3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid?
3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1H-pyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 10559783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).