2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid

C11H13NO4S — CID 81126707

IUPAC2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1sccc1OC
InChIInChI=1S/C11H13NO4S/c1-3-5-12(7-9(13)14)11(15)10-8(16-2)4-6-17-10/h3-4,6H,1,5,7H2,2H3,(H,13,14)
InChIKeyROSOFMLKCPWGLK-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.47
Rot. Bonds6

About 2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid

2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid (PubChem CID 81126707) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid
PubChem CID81126707
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1sccc1OC
InChIInChI=1S/C11H13NO4S/c1-3-5-12(7-9(13)14)11(15)10-8(16-2)4-6-17-10/h3-4,6H,1,5,7H2,2H3,(H,13,14)
InChIKeyROSOFMLKCPWGLK-UHFFFAOYSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.47
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-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
CID 113264821
2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
CID 79264069
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 106262023
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 115772776
2-[(2-methoxycarbonylthiophen-3-yl)sulfonyl-prop-2-enylamino]acetic acid
CID 79264091
2-[(2-chloro-6-methoxyphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 103293157
2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid
CID 79264539
N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
CID 104859465
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
2-[(4-fluoro-3-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 114840318

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid (CID 81126707) is 2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)c1sccc1OC.
What is the InChIKey of 2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid?
The InChIKey is ROSOFMLKCPWGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-3-5-12(7-9(13)14)11(15)10-8(16-2)4-6-17-10/h3-4,6H,1,5,7H2,2H3,(H,13,14).
What are the key properties of 2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid?
2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid has a molecular weight of 255.29 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 81126707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).