tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate

C15H23NO2S — CID 64687774

IUPACtert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H23NO2S/c1-11(14(17)18-15(2,3)4)16(13-5-6-13)9-12-7-8-19-10-12/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyJHXHUGGESLPSLO-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate

tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate (PubChem CID 64687774) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
PubChem CID64687774
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Nametert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H23NO2S/c1-11(14(17)18-15(2,3)4)16(13-5-6-13)9-12-7-8-19-10-12/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyJHXHUGGESLPSLO-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate 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

tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
CID 64688568
tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
CID 64687370
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
2-N-cyclopropyl-1-N-propan-2-yl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62436808
4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide
CID 66426893
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 55072560
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433894
2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570350
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate (CID 64687774) is tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate is CC(C(=O)OC(C)(C)C)N(Cc1ccsc1)C1CC1.
What is the InChIKey of tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate?
The InChIKey is JHXHUGGESLPSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(14(17)18-15(2,3)4)16(13-5-6-13)9-12-7-8-19-10-12/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate?
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate has a molecular weight of 281.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate is sourced from PubChem (CID 64687774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).