2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid

C12H18N2O3 — CID 119349121

IUPAC2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
SMILESCCn1c(C)cc(C(=O)NC(C)C(=O)O)c1C
InChIInChI=1S/C12H18N2O3/c1-5-14-7(2)6-10(9(14)4)11(15)13-8(3)12(16)17/h6,8H,5H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyWEYUOBCDDZQNJJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.33
Rot. Bonds4

About 2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid

2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid (PubChem CID 119349121) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
PubChem CID119349121
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
SMILESCCn1c(C)cc(C(=O)NC(C)C(=O)O)c1C
InChIInChI=1S/C12H18N2O3/c1-5-14-7(2)6-10(9(14)4)11(15)13-8(3)12(16)17/h6,8H,5H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyWEYUOBCDDZQNJJ-UHFFFAOYSA-N
XLogP1.33
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]propanoic acid
CID 119348636
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 120654873
3-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
CID 119351480
1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide
CID 34404237
4-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]butanoic acid
CID 119353000
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24630049
1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide
CID 111480378
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 100594421
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]acetic acid
CID 129469491
N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 119407091
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
1-ethyl-2,5-dimethyl-N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]pyrrole-3-carboxamide
CID 96997257

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid (CID 119349121) is 2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid is CCn1c(C)cc(C(=O)NC(C)C(=O)O)c1C.
What is the InChIKey of 2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid?
The InChIKey is WEYUOBCDDZQNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-14-7(2)6-10(9(14)4)11(15)13-8(3)12(16)17/h6,8H,5H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid?
2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119349121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).