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

C8H10N2O3 — CID 82468377

IUPAC2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc[nH]c1
InChIInChI=1S/C8H10N2O3/c1-10(5-7(11)12)8(13)6-2-3-9-4-6/h2-4,9H,5H2,1H3,(H,11,12)
InChIKeySEPNFLRDGWBJJV-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.17
Rot. Bonds3

About 2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid

2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid (PubChem CID 82468377) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid
PubChem CID82468377
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc[nH]c1
InChIInChI=1S/C8H10N2O3/c1-10(5-7(11)12)8(13)6-2-3-9-4-6/h2-4,9H,5H2,1H3,(H,11,12)
InChIKeySEPNFLRDGWBJJV-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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Related Compounds

1H-pyrrole-3-carboxamide
CID 19067979
N,N-dimethyl-1H-pyrrole-3-carboxamide
CID 23057984
(2S)-3-methyl-2-[[(2S)-2-[[1-[2-oxo-2-(prop-2-enoxyamino)ethyl]pyrrole-3-carbonyl]amino]propanoyl]amino]butanoic acid
CID 171347480
(2S)-3-methyl-2-[[2-[[1-[2-oxo-2-(prop-2-enoxyamino)ethyl]pyrrole-3-carbonyl]amino]acetyl]amino]butanoic acid
CID 171352934
4-fluoro-4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 91345504
N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide
CID 127008680
N-(4,4,4-trifluoro-3-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141125893
N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide
CID 141125916
1-methyl-N-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-3-carboxamide
CID 145848262
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide
CID 154637350
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-tert-butylpyrrole-3-carboxamide
CID 154637414
tert-butyl N-[(E)-2-[[3-(ethylcarbamoyl)pyrrol-1-yl]methyl]-3-fluoroprop-2-enyl]carbamate
CID 154637422

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid (CID 82468377) is 2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1cc[nH]c1.
What is the InChIKey of 2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid?
The InChIKey is SEPNFLRDGWBJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10(5-7(11)12)8(13)6-2-3-9-4-6/h2-4,9H,5H2,1H3,(H,11,12).
What are the key properties of 2-[methyl(1H-pyrrole-3-carbonyl)amino]acetic acid?
2-[methyl(1H-pyrrole-3-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-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 82468377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).