2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid

C15H20N2O4 — CID 106262023

IUPAC2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCCc1ccccc1OC
InChIInChI=1S/C15H20N2O4/c1-3-10-17(11-14(18)19)15(20)16-9-8-12-6-4-5-7-13(12)21-2/h3-7H,1,8-11H2,2H3,(H,16,20)(H,18,19)
InChIKeyIIWACHGGUJRGQL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.52
Rot. Bonds8

About 2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid

2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid (PubChem CID 106262023) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid
PubChem CID106262023
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCCc1ccccc1OC
InChIInChI=1S/C15H20N2O4/c1-3-10-17(11-14(18)19)15(20)16-9-8-12-6-4-5-7-13(12)21-2/h3-7H,1,8-11H2,2H3,(H,16,20)(H,18,19)
InChIKeyIIWACHGGUJRGQL-UHFFFAOYSA-N
XLogP1.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethylphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285251
2-[(2-chloro-6-methoxyphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 103293157
N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148084
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
2-[(2-methoxyphenyl)methylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79284197
N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178
2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid
CID 81126707
2-[[2-(2-aminoethyl)benzoyl]-prop-2-enylamino]acetic acid
CID 79264345
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
N-(2-aminoethyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide
CID 108899927
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
CID 110901111
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid (CID 106262023) is 2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)NCCc1ccccc1OC.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid?
The InChIKey is IIWACHGGUJRGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-10-17(11-14(18)19)15(20)16-9-8-12-6-4-5-7-13(12)21-2/h3-7H,1,8-11H2,2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid?
2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 106262023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).