2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid

C12H17NO2S — CID 79284969

IUPAC2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(CC)c1cccs1
InChIInChI=1S/C12H17NO2S/c1-3-7-13(9-12(14)15)10(4-2)11-6-5-8-16-11/h3,5-6,8,10H,1,4,7,9H2,2H3,(H,14,15)
InChIKeyVBWMUHBXBYDMQJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.77
Rot. Bonds7

About 2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid

2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid (PubChem CID 79284969) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid
PubChem CID79284969
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(CC)c1cccs1
InChIInChI=1S/C12H17NO2S/c1-3-7-13(9-12(14)15)10(4-2)11-6-5-8-16-11/h3,5-6,8,10H,1,4,7,9H2,2H3,(H,14,15)
InChIKeyVBWMUHBXBYDMQJ-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-hydroxyphenyl)propyl-prop-2-enylamino]acetic acid
CID 79285321
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
CID 87192330
2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79285898
2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
CID 65067405
2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
CID 65056388
2-[1-methoxybutan-2-yl(prop-2-enyl)amino]acetic acid
CID 79285042
2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid
CID 82201749
2-thiophen-2-ylbutanoic acid;hydrochloride
CID 141021688
1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
CID 70036600
2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
CID 115286833

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid (CID 79284969) is 2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid is C=CCN(CC(=O)O)C(CC)c1cccs1.
What is the InChIKey of 2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid?
The InChIKey is VBWMUHBXBYDMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-7-13(9-12(14)15)10(4-2)11-6-5-8-16-11/h3,5-6,8,10H,1,4,7,9H2,2H3,(H,14,15).
What are the key properties of 2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid?
2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid has a molecular weight of 239.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid is sourced from PubChem (CID 79284969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).