tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate

C13H25NO2S — CID 103711215

IUPACtert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate
SMILESCSC1CCC(NC(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO2S/c1-9(12(15)16-13(2,3)4)14-10-6-7-11(8-10)17-5/h9-11,14H,6-8H2,1-5H3
InChIKeyBPURCMYCEWNMNM-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.59
Rot. Bonds4

About tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate

tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate (PubChem CID 103711215) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate
PubChem CID103711215
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Nametert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate
SMILESCSC1CCC(NC(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO2S/c1-9(12(15)16-13(2,3)4)14-10-6-7-11(8-10)17-5/h9-11,14H,6-8H2,1-5H3
InChIKeyBPURCMYCEWNMNM-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[(3-methylsulfanylcyclopentyl)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 (2R)-2-[(3-methylcyclopentyl)amino]propanoate
CID 103903777
tert-butyl (2S)-2-(cyclobutylamino)propanoate
CID 57051933
tert-butyl 2-(cyclobutylamino)propanoate
CID 66339057
tert-butyl (2S)-2-(thian-4-ylamino)propanoate
CID 103904043
tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate
CID 114095991
N-(4-methoxy-4-methylpentan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115724640
N-(1-cyclopropylethyl)-3-methylsulfanylcyclopentan-1-amine
CID 115677390
N-(1-methoxypropan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115664082
tert-butyl 3-[(1-methoxy-1-oxopropan-2-yl)amino]pyrrolidine-1-carboxylate
CID 79040519
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate
CID 79462002
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate (CID 103711215) is tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate is CSC1CCC(NC(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate?
The InChIKey is BPURCMYCEWNMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-9(12(15)16-13(2,3)4)14-10-6-7-11(8-10)17-5/h9-11,14H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate?
tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate has a molecular weight of 259.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate is sourced from PubChem (CID 103711215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).