2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid

C12H19NO2S — CID 65064699

IUPAC2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(C)c1sccc1C
InChIInChI=1S/C12H19NO2S/c1-4-6-13(8-11(14)15)10(3)12-9(2)5-7-16-12/h5,7,10H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyCVMBEBXYYPDKDA-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.91
Rot. Bonds6

About 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid

2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid (PubChem CID 65064699) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid
PubChem CID65064699
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(C)c1sccc1C
InChIInChI=1S/C12H19NO2S/c1-4-6-13(8-11(14)15)10(3)12-9(2)5-7-16-12/h5,7,10H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyCVMBEBXYYPDKDA-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic 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

2-[cyclopropylmethyl-[1-(3-methylthiophen-2-yl)ethyl]amino]acetic acid
CID 65054956
3-[ethyl-[1-(3-methylthiophen-2-yl)ethyl]amino]-2-methylpropanoic acid
CID 65060825
2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668305
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313
3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
CID 64526594
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
2-[1-(2,3-difluorophenyl)ethyl-propylamino]acetic acid
CID 114059584
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid?
The IUPAC name of 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid (CID 65064699) is 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid.
What is the SMILES notation for 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid?
The canonical SMILES for 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid is CCCN(CC(=O)O)C(C)c1sccc1C.
What is the InChIKey of 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid?
The InChIKey is CVMBEBXYYPDKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-6-13(8-11(14)15)10(3)12-9(2)5-7-16-12/h5,7,10H,4,6,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid?
2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid has a molecular weight of 241.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylthiophen-2-yl)ethyl-propylamino]acetic acid is sourced from PubChem (CID 65064699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).