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

C12H18N2O4 — CID 79325086

IUPAC2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCCN(CCO)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H18N2O4/c1-2-5-13(7-8-15)12(18)10-4-3-6-14(10)9-11(16)17/h3-4,6,15H,2,5,7-9H2,1H3,(H,16,17)
InChIKeyAJXOJCHBNIEHCH-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.42
Rot. Bonds7

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

2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79325086) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79325086
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCCN(CCO)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H18N2O4/c1-2-5-13(7-8-15)12(18)10-4-3-6-14(10)9-11(16)17/h3-4,6,15H,2,5,7-9H2,1H3,(H,16,17)
InChIKeyAJXOJCHBNIEHCH-UHFFFAOYSA-N
XLogP0.42
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324864
2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324945
N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609488
N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609486
2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 103339961
N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61233452
1-ethyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60961930
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 104553472
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-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79325086) is 2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid is CCCN(CCO)C(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is AJXOJCHBNIEHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-5-13(7-8-15)12(18)10-4-3-6-14(10)9-11(16)17/h3-4,6,15H,2,5,7-9H2,1H3,(H,16,17).
What are the key properties of 2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79325086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).