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

C9H12N2O3 — CID 10535867

IUPAC3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCn1cccc1C(=O)NCCC(=O)O
InChIInChI=1S/C9H12N2O3/c1-11-6-2-3-7(11)9(14)10-5-4-8(12)13/h2-3,6H,4-5H2,1H3,(H,10,14)(H,12,13)
InChIKeyGMVYTLZWIBIYEM-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.23
Rot. Bonds4

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

3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 10535867) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID10535867
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCn1cccc1C(=O)NCCC(=O)O
InChIInChI=1S/C9H12N2O3/c1-11-6-2-3-7(11)9(14)10-5-4-8(12)13/h2-3,6H,4-5H2,1H3,(H,10,14)(H,12,13)
InChIKeyGMVYTLZWIBIYEM-UHFFFAOYSA-N
XLogP0.23
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid (CID 10535867) is 3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid is Cn1cccc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is GMVYTLZWIBIYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-6-2-3-7(11)9(14)10-5-4-8(12)13/h2-3,6H,4-5H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.23, 4 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]propanoic acid is sourced from PubChem (CID 10535867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).