methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate

C13H22N2O3S — CID 71972995

IUPACmethyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate
SMILESCOC(=O)C(NCCn1c(C)csc1=O)C(C)(C)C
InChIInChI=1S/C13H22N2O3S/c1-9-8-19-12(17)15(9)7-6-14-10(11(16)18-5)13(2,3)4/h8,10,14H,6-7H2,1-5H3
InChIKeyHNCHBLOMPIPFCW-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.40
Rot. Bonds5

About methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate

methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate (PubChem CID 71972995) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate
PubChem CID71972995
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Namemethyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate
SMILESCOC(=O)C(NCCn1c(C)csc1=O)C(C)(C)C
InChIInChI=1S/C13H22N2O3S/c1-9-8-19-12(17)15(9)7-6-14-10(11(16)18-5)13(2,3)4/h8,10,14H,6-7H2,1-5H3
InChIKeyHNCHBLOMPIPFCW-UHFFFAOYSA-N
XLogP1.40
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate with MolForge

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Related Compounds

(2S)-3,3-dimethyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 61144249
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
3-[3-(tert-butylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 61388131
methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate
CID 97100927
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 119599384
N-(2-hydroxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110879152
[(2R)-1-amino-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 40704753
ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate
CID 61344759
tert-butyl N-[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]ethyl]carbamate
CID 86853820
3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one
CID 66222143
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35336299
N-(1-hydroxypropan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110887361

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate?
The IUPAC name of methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate (CID 71972995) is methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate.
What is the SMILES notation for methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate?
The canonical SMILES for methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate is COC(=O)C(NCCn1c(C)csc1=O)C(C)(C)C.
What is the InChIKey of methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate?
The InChIKey is HNCHBLOMPIPFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-8-19-12(17)15(9)7-6-14-10(11(16)18-5)13(2,3)4/h8,10,14H,6-7H2,1-5H3.
What are the key properties of methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate?
methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate has a molecular weight of 286.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate is sourced from PubChem (CID 71972995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).