2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid

C8H11N3O3S — CID 107440499

IUPAC2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1nccs1
InChIInChI=1S/C8H11N3O3S/c9-6(12)3-11(5-8(13)14)4-7-10-1-2-15-7/h1-2H,3-5H2,(H2,9,12)(H,13,14)
InChIKeyVMWMVHNAJHWURA-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.49
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid (PubChem CID 107440499) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
PubChem CID107440499
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1nccs1
InChIInChI=1S/C8H11N3O3S/c9-6(12)3-11(5-8(13)14)4-7-10-1-2-15-7/h1-2H,3-5H2,(H2,9,12)(H,13,14)
InChIKeyVMWMVHNAJHWURA-UHFFFAOYSA-N
XLogP-0.49
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-thiazol-2-yl)propanamide
CID 45121787
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421
2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide
CID 56981215
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858
2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid
CID 107440806
propyl(1,3-thiazol-2-ylmethyl)carbamic acid
CID 69435143
N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-ynamide
CID 130614901
2-[(2-amino-2-oxoethyl)-[(5-chloro-1-methylimidazol-2-yl)methyl]amino]acetic acid
CID 107440376
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 110715819
(E)-2-amino-4-(1,3-thiazol-2-yl)but-2-enoic acid
CID 104830981
1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 119891584
2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
CID 66568664

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid (CID 107440499) is 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid is NC(=O)CN(CC(=O)O)Cc1nccs1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid?
The InChIKey is VMWMVHNAJHWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c9-6(12)3-11(5-8(13)14)4-7-10-1-2-15-7/h1-2H,3-5H2,(H2,9,12)(H,13,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid has a molecular weight of 229.26 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 107440499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).