tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate

C14H27NO2 — CID 119036154

IUPACtert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate
SMILESCC(N[C@@H](C)C(=O)OC(C)(C)C)C1CC1(C)C
InChIInChI=1S/C14H27NO2/c1-9(11-8-14(11,6)7)15-10(2)12(16)17-13(3,4)5/h9-11,15H,8H2,1-7H3/t9?,10-,11?/m0/s1
InChIKeyYRVKSCJVCHRCEH-YVNMAJEFSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds4

About tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate

tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate (PubChem CID 119036154) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate
PubChem CID119036154
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate
SMILESCC(N[C@@H](C)C(=O)OC(C)(C)C)C1CC1(C)C
InChIInChI=1S/C14H27NO2/c1-9(11-8-14(11,6)7)15-10(2)12(16)17-13(3,4)5/h9-11,15H,8H2,1-7H3/t9?,10-,11?/m0/s1
InChIKeyYRVKSCJVCHRCEH-YVNMAJEFSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-methylpropanamide
CID 131002161
tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate
CID 103903785
tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate
CID 66337589
tert-butyl (2S)-2-(cyclobutylamino)propanoate
CID 57051933
tert-butyl 2-(cyclobutylamino)propanoate
CID 66339057
methyl (2R,3S)-3-[(1R)-2,2-dimethylcyclopropyl]-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10779642
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl 2-(methoxyamino)propanoate
CID 64688772
tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
CID 103734836
tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate
CID 103581441
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate?
The IUPAC name of tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate (CID 119036154) is tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate is CC(N[C@@H](C)C(=O)OC(C)(C)C)C1CC1(C)C.
What is the InChIKey of tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate?
The InChIKey is YRVKSCJVCHRCEH-YVNMAJEFSA-N. The full InChI is InChI=1S/C14H27NO2/c1-9(11-8-14(11,6)7)15-10(2)12(16)17-13(3,4)5/h9-11,15H,8H2,1-7H3/t9?,10-,11?/m0/s1.
What are the key properties of tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate?
tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate is sourced from PubChem (CID 119036154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).