2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid

C10H14N2O3 — CID 79324864

IUPAC2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCN(C)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-3-11(2)10(15)8-5-4-6-12(8)7-9(13)14/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyZHZXFPCXIUIZME-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.66
Rot. Bonds4

About 2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79324864) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79324864
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCN(C)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-3-11(2)10(15)8-5-4-6-12(8)7-9(13)14/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyZHZXFPCXIUIZME-UHFFFAOYSA-N
XLogP0.66
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 114134247
2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325083
2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234
2-[2-[(3-bromophenyl)methyl-methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 79321937
2-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 79332055
2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325086
2-[2-[(4-cyanophenyl)-methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 79322484
2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324945
1-ethyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60961930
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
2-[2-[[4-(dimethylamino)phenyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79321914
2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79324939

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79324864) is 2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid is CCN(C)C(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is ZHZXFPCXIUIZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-11(2)10(15)8-5-4-6-12(8)7-9(13)14/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79324864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).