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

C13H18N2O4 — CID 103339961

IUPAC2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESC=CCN(CCOC)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-6-14(8-9-19-2)13(18)11-5-4-7-15(11)10-12(16)17/h3-5,7H,1,6,8-10H2,2H3,(H,16,17)
InChIKeyNMAQPRJKOIKMGV-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.85
Rot. Bonds8

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

2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 103339961) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID103339961
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESC=CCN(CCOC)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-6-14(8-9-19-2)13(18)11-5-4-7-15(11)10-12(16)17/h3-5,7H,1,6,8-10H2,2H3,(H,16,17)
InChIKeyNMAQPRJKOIKMGV-UHFFFAOYSA-N
XLogP0.85
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234
2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325083
2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325086
N-(2-methoxyethyl)-N-prop-2-enylthiophene-2-carboxamide
CID 103340492
ethyl 2-[(1-ethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331340
2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324864
N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609488
2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 114608759
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-fluoro-N-prop-2-enylbenzamide
CID 4201261
2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
CID 103338613
5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid
CID 103339943
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339639

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 103339961) is 2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid is C=CCN(CCOC)C(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is NMAQPRJKOIKMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-6-14(8-9-19-2)13(18)11-5-4-7-15(11)10-12(16)17/h3-5,7H,1,6,8-10H2,2H3,(H,16,17).
What are the key properties of 2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 103339961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).