2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid

C9H11N3O4S — CID 107433670

IUPAC2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESCc1nc(C(=O)N(CC(N)=O)CC(=O)O)cs1
InChIInChI=1S/C9H11N3O4S/c1-5-11-6(4-17-5)9(16)12(2-7(10)13)3-8(14)15/h4H,2-3H2,1H3,(H2,10,13)(H,14,15)
InChIKeyLVOJSOXHKLRXSX-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.54
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid (PubChem CID 107433670) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid
PubChem CID107433670
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESCc1nc(C(=O)N(CC(N)=O)CC(=O)O)cs1
InChIInChI=1S/C9H11N3O4S/c1-5-11-6(4-17-5)9(16)12(2-7(10)13)3-8(14)15/h4H,2-3H2,1H3,(H2,10,13)(H,14,15)
InChIKeyLVOJSOXHKLRXSX-UHFFFAOYSA-N
XLogP-0.54
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cobicistat metabolite M9.1
CID 69479782
FK 336
CID 129402
4-Thiazolecarboxylic acid, 2-[(2-propen-1-ylamino)carbonyl]-
CID 50990524
N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198787
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 86814871
1-(2-Tert-butyl-1,3-thiazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid
CID 126833545
(2S)-2-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]-4-fluorobutanoic acid
CID 129559126
(2S)-2-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]pent-4-ynoic acid
CID 129559189
3-(((2-(2-(Acetylamino)ethyl-4-thiazolyl)carbonyl)amino)propyl)dimethylsulfonium chloride
CID 157421
4-(4,4-Difluoro-2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 121303150
4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid
CID 121303228
2-fluoro-N-propyl-1,3-thiazole-4-carboxamide
CID 129027201

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid (CID 107433670) is 2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid is Cc1nc(C(=O)N(CC(N)=O)CC(=O)O)cs1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The InChIKey is LVOJSOXHKLRXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-5-11-6(4-17-5)9(16)12(2-7(10)13)3-8(14)15/h4H,2-3H2,1H3,(H2,10,13)(H,14,15).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid has a molecular weight of 257.27 g/mol, XLogP of -0.54, 5 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)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 107433670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).