2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid

C11H14N2O3 — CID 43639286

IUPAC2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccn1C1CC1
InChIInChI=1S/C11H14N2O3/c1-12(7-10(14)15)11(16)9-3-2-6-13(9)8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)
InChIKeyHEFXEAFLBCDNHZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.98
Rot. Bonds4

About 2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid

2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid (PubChem CID 43639286) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
PubChem CID43639286
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccn1C1CC1
InChIInChI=1S/C11H14N2O3/c1-12(7-10(14)15)11(16)9-3-2-6-13(9)8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)
InChIKeyHEFXEAFLBCDNHZ-UHFFFAOYSA-N
XLogP0.98
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
CID 114608980
3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715589
1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide
CID 77088699
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114609355
2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 114608759
N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 62715231
1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide
CID 114609917
N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715240
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid (CID 43639286) is 2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1cccn1C1CC1.
What is the InChIKey of 2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid?
The InChIKey is HEFXEAFLBCDNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12(7-10(14)15)11(16)9-3-2-6-13(9)8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid?
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 43639286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).