2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid

C13H20N2O3 — CID 65218709

IUPAC2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cccn1CC)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-3-6-10(13(17)18)9-14-12(16)11-7-5-8-15(11)4-2/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyNMOLWCXSDODEQI-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.74
Rot. Bonds7

About 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid

2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65218709) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
PubChem CID65218709
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cccn1CC)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-3-6-10(13(17)18)9-14-12(16)11-7-5-8-15(11)4-2/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyNMOLWCXSDODEQI-UHFFFAOYSA-N
XLogP1.74
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676590
5-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpentanoic acid
CID 104681684
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
CID 106108154
(2S,3R)-2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964424
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 65219302
(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid
CID 61143350
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 65218762
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 65218826
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-2-methylpropanoic acid
CID 114608790

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid (CID 65218709) is 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1cccn1CC)C(=O)O.
What is the InChIKey of 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is NMOLWCXSDODEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-6-10(13(17)18)9-14-12(16)11-7-5-8-15(11)4-2/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65218709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).