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

C13H20N2O3 — CID 119172481

IUPAC2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid
SMILESCc1cc(C(=O)N(C)CC(=O)O)c(C)n1C(C)C
InChIInChI=1S/C13H20N2O3/c1-8(2)15-9(3)6-11(10(15)4)13(18)14(5)7-12(16)17/h6,8H,7H2,1-5H3,(H,16,17)
InChIKeyGAXAHQBCTDVKBE-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.84
Rot. Bonds4

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

2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid (PubChem CID 119172481) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid
PubChem CID119172481
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid
SMILESCc1cc(C(=O)N(C)CC(=O)O)c(C)n1C(C)C
InChIInChI=1S/C13H20N2O3/c1-8(2)15-9(3)6-11(10(15)4)13(18)14(5)7-12(16)17/h6,8H,7H2,1-5H3,(H,16,17)
InChIKeyGAXAHQBCTDVKBE-UHFFFAOYSA-N
XLogP1.84
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 111695963
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189738
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 78771701
N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 112789852
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172084
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066
3-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-2-methylpropanoic acid
CID 119237626
2-[2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242611
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone
CID 110654072
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 82495978
2-(azepan-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654057
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120885313

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid (CID 119172481) is 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid is Cc1cc(C(=O)N(C)CC(=O)O)c(C)n1C(C)C.
What is the InChIKey of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid?
The InChIKey is GAXAHQBCTDVKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)15-9(3)6-11(10(15)4)13(18)14(5)7-12(16)17/h6,8H,7H2,1-5H3,(H,16,17).
What are the key properties of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid?
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 119172481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).