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

C8H10N2O3 — CID 10583571

IUPAC2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc[nH]1
InChIInChI=1S/C8H10N2O3/c1-10(5-7(11)12)8(13)6-3-2-4-9-6/h2-4,9H,5H2,1H3,(H,11,12)
InChIKeyVUKZLDBZDKJAFB-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.17
Rot. Bonds3

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

2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid (PubChem CID 10583571) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid
PubChem CID10583571
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc[nH]1
InChIInChI=1S/C8H10N2O3/c1-10(5-7(11)12)8(13)6-3-2-4-9-6/h2-4,9H,5H2,1H3,(H,11,12)
InChIKeyVUKZLDBZDKJAFB-UHFFFAOYSA-N
XLogP0.17
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid (CID 10583571) is 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1ccc[nH]1.
What is the InChIKey of 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid?
The InChIKey is VUKZLDBZDKJAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10(5-7(11)12)8(13)6-3-2-4-9-6/h2-4,9H,5H2,1H3,(H,11,12).
What are the key properties of 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid?
2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 10583571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).