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

C15H23NO2S — CID 64688568

IUPACtert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H23NO2S/c1-11(14(17)18-15(2,3)4)16(12-7-8-12)10-13-6-5-9-19-13/h5-6,9,11-12H,7-8,10H2,1-4H3
InChIKeyWESAFNDDCWYQOK-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.44
Rot. Bonds5

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

tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate (PubChem CID 64688568) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
PubChem CID64688568
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Nametert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H23NO2S/c1-11(14(17)18-15(2,3)4)16(12-7-8-12)10-13-6-5-9-19-13/h5-6,9,11-12H,7-8,10H2,1-4H3
InChIKeyWESAFNDDCWYQOK-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

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one
CID 64868203
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
CID 64687774
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide
CID 63577701
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 54948407
tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
CID 64687370
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
2-[(2-methylpropan-2-yl)oxycarbonyl-(thiophen-2-ylmethyl)amino]propanoic acid
CID 82045233
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate (CID 64688568) is tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate is CC(C(=O)OC(C)(C)C)N(Cc1cccs1)C1CC1.
What is the InChIKey of tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate?
The InChIKey is WESAFNDDCWYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(14(17)18-15(2,3)4)16(12-7-8-12)10-13-6-5-9-19-13/h5-6,9,11-12H,7-8,10H2,1-4H3.
What are the key properties of tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate?
tert-butyl 2-[cyclopropyl(thiophen-2-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-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 64688568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).