2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid

C9H12N2O3 — CID 83617799

IUPAC2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid
SMILESCC(C)(NC(=O)c1cc[nH]c1)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-9(2,8(13)14)11-7(12)6-3-4-10-5-6/h3-5,10H,1-2H3,(H,11,12)(H,13,14)
InChIKeyIEUJFFIWFREIRY-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.61
Rot. Bonds3

About 2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid

2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid (PubChem CID 83617799) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid
PubChem CID83617799
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid
SMILESCC(C)(NC(=O)c1cc[nH]c1)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-9(2,8(13)14)11-7(12)6-3-4-10-5-6/h3-5,10H,1-2H3,(H,11,12)(H,13,14)
InChIKeyIEUJFFIWFREIRY-UHFFFAOYSA-N
XLogP0.61
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid (CID 83617799) is 2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid is CC(C)(NC(=O)c1cc[nH]c1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid?
The InChIKey is IEUJFFIWFREIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2,8(13)14)11-7(12)6-3-4-10-5-6/h3-5,10H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid?
2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1H-pyrrole-3-carbonylamino)propanoic acid is sourced from PubChem (CID 83617799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).