2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid

C12H11N3O5S — CID 107434740

IUPAC2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C12H11N3O5S/c13-10(16)5-15(6-11(17)18)12(19)7-4-8(20-14-7)9-2-1-3-21-9/h1-4H,5-6H2,(H2,13,16)(H,17,18)
InChIKeyDMHISOKTAPKZAW-UHFFFAOYSA-N
MW309.30 g/mol
LogP0.42
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid (PubChem CID 107434740) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
PubChem CID107434740
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C12H11N3O5S/c13-10(16)5-15(6-11(17)18)12(19)7-4-8(20-14-7)9-2-1-3-21-9/h1-4H,5-6H2,(H2,13,16)(H,17,18)
InChIKeyDMHISOKTAPKZAW-UHFFFAOYSA-N
XLogP0.42
TPSA126.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 107433670
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305505
2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid
CID 170879419
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55583076
N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
CID 64510105
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55484093
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 38744450
N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one
CID 158175693
2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid
CID 107434591
2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 107434133

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid (CID 107434740) is 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The InChIKey is DMHISOKTAPKZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c13-10(16)5-15(6-11(17)18)12(19)7-4-8(20-14-7)9-2-1-3-21-9/h1-4H,5-6H2,(H2,13,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid has a molecular weight of 309.30 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 107434740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).