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

C11H16N2O4 — CID 79325083

IUPAC2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCN(CCO)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C11H16N2O4/c1-2-12(6-7-14)11(17)9-4-3-5-13(9)8-10(15)16/h3-5,14H,2,6-8H2,1H3,(H,15,16)
InChIKeySMEWPLDSXOTHOR-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.03
Rot. Bonds6

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

2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79325083) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79325083
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCN(CCO)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C11H16N2O4/c1-2-12(6-7-14)11(17)9-4-3-5-13(9)8-10(15)16/h3-5,14H,2,6-8H2,1H3,(H,15,16)
InChIKeySMEWPLDSXOTHOR-UHFFFAOYSA-N
XLogP0.03
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325086
2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234
N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609486
N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609488
2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324864
2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 103339961
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-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 114134247
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61233452
N,N-diethyl-1-methylpyrrole-2-carboxamide
CID 60654004

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79325083) is 2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid is CCN(CCO)C(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is SMEWPLDSXOTHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-12(6-7-14)11(17)9-4-3-5-13(9)8-10(15)16/h3-5,14H,2,6-8H2,1H3,(H,15,16).
What are the key properties of 2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79325083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).