tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate

C10H21NO2S — CID 146252161

IUPACtert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate
SMILESCSC(C)(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-9(2,3)13-8(12)7-11-10(4,5)14-6/h11H,7H2,1-6H3
InChIKeyXUYDAWALCASCEO-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.02
Rot. Bonds4

About tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate

tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate (PubChem CID 146252161) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate
PubChem CID146252161
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nametert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate
SMILESCSC(C)(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-9(2,3)13-8(12)7-11-10(4,5)14-6/h11H,7H2,1-6H3
InChIKeyXUYDAWALCASCEO-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate 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

ethyl 2-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 22080566
tert-butyl 2-(1,1-diethoxyethylamino)acetate
CID 19094648
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate
CID 103949974
3-O-tert-butyl 1-O-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl] propanedioate
CID 141468751
tert-butyl 2-(methylamino)acetate;hydron;chloride
CID 45382244
tert-butyl 2-formamidoacetate
CID 11469223
tert-butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 20684895
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
tert-butyl 2-(methanesulfinamido)acetate
CID 143068287
tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate?
The IUPAC name of tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate (CID 146252161) is tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate?
The canonical SMILES for tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate is CSC(C)(C)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate?
The InChIKey is XUYDAWALCASCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2,3)13-8(12)7-11-10(4,5)14-6/h11H,7H2,1-6H3.
What are the key properties of tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate?
tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate has a molecular weight of 219.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate is sourced from PubChem (CID 146252161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).