2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid

C14H20N2O4 — CID 114608759

IUPAC2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H20N2O4/c1-20-9-8-15(10-13(17)18)14(19)12-6-3-7-16(12)11-4-2-5-11/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,17,18)
InChIKeyYLTJWTMBIQGZBY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.39
Rot. Bonds7

About 2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 114608759) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID114608759
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H20N2O4/c1-20-9-8-15(10-13(17)18)14(19)12-6-3-7-16(12)11-4-2-5-11/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,17,18)
InChIKeyYLTJWTMBIQGZBY-UHFFFAOYSA-N
XLogP1.39
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 113356717
2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
CID 114608980
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715240
N-cyclopropyl-N-(2-methoxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715573
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 107483136
1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide
CID 77088699
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070
N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610482
2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 114608759) is 2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cccn1C1CCC1.
What is the InChIKey of 2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is YLTJWTMBIQGZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-9-8-15(10-13(17)18)14(19)12-6-3-7-16(12)11-4-2-5-11/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,17,18).
What are the key properties of 2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 114608759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).