3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid

C11H16N2O3 — CID 62676590

IUPAC3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCCn1cccc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-3-13-6-4-5-9(13)10(14)12-7-8(2)11(15)16/h4-6,8H,3,7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyUSPOVKIZOODWHP-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.96
Rot. Bonds5

About 3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid

3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62676590) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62676590
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCCn1cccc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-3-13-6-4-5-9(13)10(14)12-7-8(2)11(15)16/h4-6,8H,3,7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyUSPOVKIZOODWHP-UHFFFAOYSA-N
XLogP0.96
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-2-methylpropanoic acid
CID 114608790
5-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpentanoic acid
CID 104681684
2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 65218709
(2S,3R)-2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964424
3-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 55105211
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
CID 106108154
(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid
CID 61143350
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
2-[[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 114608914
2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 102700126

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid (CID 62676590) is 3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid is CCn1cccc1C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is USPOVKIZOODWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-13-6-4-5-9(13)10(14)12-7-8(2)11(15)16/h4-6,8H,3,7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid?
3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62676590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).