2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid

C15H24N2O4 — CID 119189738

IUPAC2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C15H24N2O4/c1-10(2)17-11(3)8-13(12(17)4)15(20)16(6-7-21-5)9-14(18)19/h8,10H,6-7,9H2,1-5H3,(H,18,19)
InChIKeyKKGIFHKIGKUKOQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.86
Rot. Bonds7

About 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189738) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119189738
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C15H24N2O4/c1-10(2)17-11(3)8-13(12(17)4)15(20)16(6-7-21-5)9-14(18)19/h8,10H,6-7,9H2,1-5H3,(H,18,19)
InChIKeyKKGIFHKIGKUKOQ-UHFFFAOYSA-N
XLogP1.86
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 120516233
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172481
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517
N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698914
2-[(4-bromo-2,5-dimethylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 120516157
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 104669556
2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119189710
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
2-[(4-chloro-2,5-difluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 82782990
N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120649497
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone
CID 110653995

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 119189738) is 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc(C)n(C(C)C)c1C.
What is the InChIKey of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is KKGIFHKIGKUKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(2)17-11(3)8-13(12(17)4)15(20)16(6-7-21-5)9-14(18)19/h8,10H,6-7,9H2,1-5H3,(H,18,19).
What are the key properties of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).