4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid

C14H21NO3S — CID 55147673

IUPAC4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(Cc1ccsc1)C1CC1)C(=O)O
InChIInChI=1S/C14H21NO3S/c1-2-18-13(14(16)17)5-7-15(12-3-4-12)9-11-6-8-19-10-11/h6,8,10,12-13H,2-5,7,9H2,1H3,(H,16,17)
InChIKeyGUBZWNZQGMOATM-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.59
Rot. Bonds9

About 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid

4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid (PubChem CID 55147673) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid
PubChem CID55147673
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(Cc1ccsc1)C1CC1)C(=O)O
InChIInChI=1S/C14H21NO3S/c1-2-18-13(14(16)17)5-7-15(12-3-4-12)9-11-6-8-19-10-11/h6,8,10,12-13H,2-5,7,9H2,1H3,(H,16,17)
InChIKeyGUBZWNZQGMOATM-UHFFFAOYSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic 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

4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
CID 63074910
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
(2S)-2-ethoxy-3-thiophen-3-ylpropanoic acid
CID 11608110
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide
CID 60516192
1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62630679
(E)-4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 62342528

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid?
The IUPAC name of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid (CID 55147673) is 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid?
The canonical SMILES for 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid is CCOC(CCN(Cc1ccsc1)C1CC1)C(=O)O.
What is the InChIKey of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid?
The InChIKey is GUBZWNZQGMOATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-18-13(14(16)17)5-7-15(12-3-4-12)9-11-6-8-19-10-11/h6,8,10,12-13H,2-5,7,9H2,1H3,(H,16,17).
What are the key properties of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid?
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid has a molecular weight of 283.39 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid is sourced from PubChem (CID 55147673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).