tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate

C9H19NO2S — CID 66244144

IUPACtert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate
SMILESCC(CN)SCC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-7(5-10)13-6-8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3
InChIKeyCHSFJHUDFZTJMT-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.41
Rot. Bonds4

About tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate

tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate (PubChem CID 66244144) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate
PubChem CID66244144
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Nametert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate
SMILESCC(CN)SCC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-7(5-10)13-6-8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3
InChIKeyCHSFJHUDFZTJMT-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[4-(ethylamino)pentan-2-ylsulfanyl]acetate
CID 116687939
butyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate
CID 115646715
tert-butyl 2-aminoacetate;ethane
CID 143116857
tert-butyl 2-[(2S)-2-amino-4-methylpentyl]sulfanylacetate
CID 54147463
tert-butyl 4-amino-3-methoxybutanoate
CID 102921115
tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate
CID 158447815
tert-butyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122164368
tert-butyl 3-amino-2-[[3-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 87968324
tert-butyl 4,5-diaminopentanoate
CID 54288904
tert-butyl 2-[2-amino-1-(2-chlorophenyl)propyl]sulfanylacetate
CID 116686908
tert-butyl 2-[2-amino-1-(2-methylphenyl)butyl]sulfanylacetate
CID 116686935
tert-butyl 3,3-diaminopropanoate
CID 57031897

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate?
The IUPAC name of tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate (CID 66244144) is tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate.
What is the SMILES notation for tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate?
The canonical SMILES for tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate is CC(CN)SCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate?
The InChIKey is CHSFJHUDFZTJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(5-10)13-6-8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3.
What are the key properties of tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate?
tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate has a molecular weight of 205.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate is sourced from PubChem (CID 66244144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).