3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid

C11H15NO2S — CID 60838165

IUPAC3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C11H15NO2S/c13-11(14)3-5-12(10-1-2-10)7-9-4-6-15-8-9/h4,6,8,10H,1-3,5,7H2,(H,13,14)
InChIKeyHSVJIAOZQUCKIX-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.19
Rot. Bonds6

About 3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid

3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid (PubChem CID 60838165) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
PubChem CID60838165
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C11H15NO2S/c13-11(14)3-5-12(10-1-2-10)7-9-4-6-15-8-9/h4,6,8,10H,1-3,5,7H2,(H,13,14)
InChIKeyHSVJIAOZQUCKIX-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopropyl(thiophen-3-ylmethyl)amino]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-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61435483
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
(E)-4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 62342528
4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 76940728
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid (CID 60838165) is 3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid is O=C(O)CCN(Cc1ccsc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid?
The InChIKey is HSVJIAOZQUCKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)3-5-12(10-1-2-10)7-9-4-6-15-8-9/h4,6,8,10H,1-3,5,7H2,(H,13,14).
What are the key properties of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid?
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid has a molecular weight of 225.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 60838165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).