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

C12H18N2O4 — CID 79325234

IUPAC2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCN(CCOC)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H18N2O4/c1-3-13(7-8-18-2)12(17)10-5-4-6-14(10)9-11(15)16/h4-6H,3,7-9H2,1-2H3,(H,15,16)
InChIKeyLKSBTPZIORUJHH-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.68
Rot. Bonds7

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

2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79325234) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79325234
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCN(CCOC)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H18N2O4/c1-3-13(7-8-18-2)12(17)10-5-4-6-14(10)9-11(15)16/h4-6H,3,7-9H2,1-2H3,(H,15,16)
InChIKeyLKSBTPZIORUJHH-UHFFFAOYSA-N
XLogP0.68
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 103339961
2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325083
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-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325086
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609713
N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide
CID 114610851
2-[2-[ethyl(2-methoxyethyl)carbamoyl]phenyl]acetic acid
CID 114199797
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
2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324945
2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 114608759

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79325234) is 2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid is CCN(CCOC)C(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is LKSBTPZIORUJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-13(7-8-18-2)12(17)10-5-4-6-14(10)9-11(15)16/h4-6H,3,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79325234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).