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

C9H12N2O3 — CID 20642909

IUPAC3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cc[nH]c1
InChIInChI=1S/C9H12N2O3/c1-11(5-3-8(12)13)9(14)7-2-4-10-6-7/h2,4,6,10H,3,5H2,1H3,(H,12,13)
InChIKeyRVYSYBNSSOQWDV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.56
Rot. Bonds4

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

3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid (PubChem CID 20642909) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid
PubChem CID20642909
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cc[nH]c1
InChIInChI=1S/C9H12N2O3/c1-11(5-3-8(12)13)9(14)7-2-4-10-6-7/h2,4,6,10H,3,5H2,1H3,(H,12,13)
InChIKeyRVYSYBNSSOQWDV-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-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid (CID 20642909) is 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1cc[nH]c1.
What is the InChIKey of 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid?
The InChIKey is RVYSYBNSSOQWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11(5-3-8(12)13)9(14)7-2-4-10-6-7/h2,4,6,10H,3,5H2,1H3,(H,12,13).
What are the key properties of 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid?
3-[methyl(1H-pyrrole-3-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-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 20642909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).