2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid

C11H14N2O4 — CID 54901504

IUPAC2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(C(C)=O)c[nH]1
InChIInChI=1S/C11H14N2O4/c1-3-13(6-10(15)16)11(17)9-4-8(5-12-9)7(2)14/h4-5,12H,3,6H2,1-2H3,(H,15,16)
InChIKeyGOZJHPODFBTHTJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.76
Rot. Bonds5

About 2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid

2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid (PubChem CID 54901504) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid
PubChem CID54901504
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(C(C)=O)c[nH]1
InChIInChI=1S/C11H14N2O4/c1-3-13(6-10(15)16)11(17)9-4-8(5-12-9)7(2)14/h4-5,12H,3,6H2,1-2H3,(H,15,16)
InChIKeyGOZJHPODFBTHTJ-UHFFFAOYSA-N
XLogP0.76
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
CID 61021112
2-[(3,5-dihydroxybenzoyl)-ethylamino]acetic acid
CID 107702457
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 135702726
4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 78851108
2-[2-(dimethylamino)ethyl-(4-nitro-1H-pyrrole-2-carbonyl)amino]acetic acid
CID 103802930
2-[(2-amino-2-oxoethyl)-(4-bromo-1H-pyrrole-2-carbonyl)amino]acetic acid
CID 107434512
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 24546550
4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 8948537
4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 36555948
2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 119205851

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid (CID 54901504) is 2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1cc(C(C)=O)c[nH]1.
What is the InChIKey of 2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid?
The InChIKey is GOZJHPODFBTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-13(6-10(15)16)11(17)9-4-8(5-12-9)7(2)14/h4-5,12H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid?
2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-1H-pyrrole-2-carbonyl)-ethylamino]acetic acid is sourced from PubChem (CID 54901504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).