3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid

C12H16ClNO2S — CID 65054983

IUPAC3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid
SMILESCC(c1ccc(Cl)s1)N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H16ClNO2S/c1-8(10-4-5-11(13)17-10)14(9-2-3-9)7-6-12(15)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyCDWQDGZELGFQOC-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.40
Rot. Bonds6

About 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid

3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid (PubChem CID 65054983) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid
PubChem CID65054983
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid
SMILESCC(c1ccc(Cl)s1)N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H16ClNO2S/c1-8(10-4-5-11(13)17-10)14(9-2-3-9)7-6-12(15)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyCDWQDGZELGFQOC-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(5-chlorothiophen-2-yl)ethyl-propan-2-ylamino]propanoic acid
CID 65057261
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112286
3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 65054486
2-[2-(5-chlorothiophen-2-yl)propanoyl-cyclopropylamino]acetic acid
CID 120517629
3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid
CID 60845442
3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
CID 65055124
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
3-[cyclopropyl-[1-(2,5-dihydroxyphenyl)ethyl]amino]propanoic acid
CID 65055025
N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine
CID 66184209
3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
CID 65059340
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid (CID 65054983) is 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid is CC(c1ccc(Cl)s1)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid?
The InChIKey is CDWQDGZELGFQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-8(10-4-5-11(13)17-10)14(9-2-3-9)7-6-12(15)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid?
3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid has a molecular weight of 273.78 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid is sourced from PubChem (CID 65054983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).