2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid

C8H10N2O3S — CID 66568664

IUPAC2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)c1nccs1
InChIInChI=1S/C8H10N2O3S/c1-10(5-7(12)13)4-6(11)8-9-2-3-14-8/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyFCMJFONFOOKBEV-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.34
Rot. Bonds5

About 2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid

2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid (PubChem CID 66568664) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
PubChem CID66568664
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)c1nccs1
InChIInChI=1S/C8H10N2O3S/c1-10(5-7(12)13)4-6(11)8-9-2-3-14-8/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyFCMJFONFOOKBEV-UHFFFAOYSA-N
XLogP0.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid (CID 66568664) is 2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid is CN(CC(=O)O)CC(=O)c1nccs1.
What is the InChIKey of 2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid?
The InChIKey is FCMJFONFOOKBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-10(5-7(12)13)4-6(11)8-9-2-3-14-8/h2-3H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid?
2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid has a molecular weight of 214.25 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 66568664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).