methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate

C13H22N2O4S — CID 97100927

IUPACmethyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate
SMILESCCOC[C@H](C(=O)OC)N(C)CCn1c(C)csc1=O
InChIInChI=1S/C13H22N2O4S/c1-5-19-8-11(12(16)18-4)14(3)6-7-15-10(2)9-20-13(15)17/h9,11H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyGGRGXMGOVOUHDN-LLVKDONJSA-N
MW302.40 g/mol
LogP0.73
Rot. Bonds8

About methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate

methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate (PubChem CID 97100927) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate
PubChem CID97100927
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Namemethyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate
SMILESCCOC[C@H](C(=O)OC)N(C)CCn1c(C)csc1=O
InChIInChI=1S/C13H22N2O4S/c1-5-19-8-11(12(16)18-4)14(3)6-7-15-10(2)9-20-13(15)17/h9,11H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyGGRGXMGOVOUHDN-LLVKDONJSA-N
XLogP0.73
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate with MolForge

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Related Compounds

N-ethyl-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 134063261
methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate
CID 71972995
ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate
CID 61021434
ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate
CID 61344759
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 111336234
3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 43509713
2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
CID 60829210
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35336299
3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 86947237
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 119655506
3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 61008566

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate?
The IUPAC name of methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate (CID 97100927) is methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate?
The canonical SMILES for methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate is CCOC[C@H](C(=O)OC)N(C)CCn1c(C)csc1=O.
What is the InChIKey of methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate?
The InChIKey is GGRGXMGOVOUHDN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-5-19-8-11(12(16)18-4)14(3)6-7-15-10(2)9-20-13(15)17/h9,11H,5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate?
methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate has a molecular weight of 302.40 g/mol, XLogP of 0.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-ethoxy-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]propanoate is sourced from PubChem (CID 97100927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).