methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate

C10H16N2O2S — CID 71868948

IUPACmethyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate
SMILESCCC(C)(NCC(=O)OC)c1nccs1
InChIInChI=1S/C10H16N2O2S/c1-4-10(2,9-11-5-6-15-9)12-7-8(13)14-3/h5-6,12H,4,7H2,1-3H3
InChIKeyYPTVRDNYIDKLRZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.53
Rot. Bonds5

About methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate

methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate (PubChem CID 71868948) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate
PubChem CID71868948
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate
SMILESCCC(C)(NCC(=O)OC)c1nccs1
InChIInChI=1S/C10H16N2O2S/c1-4-10(2,9-11-5-6-15-9)12-7-8(13)14-3/h5-6,12H,4,7H2,1-3H3
InChIKeyYPTVRDNYIDKLRZ-UHFFFAOYSA-N
XLogP1.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate?
The IUPAC name of methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate (CID 71868948) is methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate is CCC(C)(NCC(=O)OC)c1nccs1.
What is the InChIKey of methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate?
The InChIKey is YPTVRDNYIDKLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-10(2,9-11-5-6-15-9)12-7-8(13)14-3/h5-6,12H,4,7H2,1-3H3.
What are the key properties of methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate?
methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate has a molecular weight of 228.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate is sourced from PubChem (CID 71868948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).