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

C8H9N3O5 — CID 107434738

IUPAC2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1ccon1
InChIInChI=1S/C8H9N3O5/c9-6(12)3-11(4-7(13)14)8(15)5-1-2-16-10-5/h1-2H,3-4H2,(H2,9,12)(H,13,14)
InChIKeyWSXNOXFQZCHHBG-UHFFFAOYSA-N
MW227.18 g/mol
LogP-1.31
Rot. Bonds5

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

2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid (PubChem CID 107434738) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid
PubChem CID107434738
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1ccon1
InChIInChI=1S/C8H9N3O5/c9-6(12)3-11(4-7(13)14)8(15)5-1-2-16-10-5/h1-2H,3-4H2,(H2,9,12)(H,13,14)
InChIKeyWSXNOXFQZCHHBG-UHFFFAOYSA-N
XLogP-1.31
TPSA126.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2,2-Trifluoroethyl)-1,2-Oxazole-3-Carboxamide
CID 117587701
3-(Piperidinocarbonyl)isoxazole
CID 61565011
N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-1,2-oxazole-3-carboxamide
CID 60243389
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 75506216
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-1,2-oxazole-3-carboxamide
CID 84594032
[4-(2-Ethoxyethyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 132377234
N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide
CID 164642819
N-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68842776
N-(2-methylpropyl)-1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid
CID 69500003
N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 154200133
N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide
CID 175900992
N-(3-fluorocyclobutyl)-1,2-oxazole-3-carboxamide
CID 176235299

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid (CID 107434738) is 2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)c1ccon1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid?
The InChIKey is WSXNOXFQZCHHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c9-6(12)3-11(4-7(13)14)8(15)5-1-2-16-10-5/h1-2H,3-4H2,(H2,9,12)(H,13,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid has a molecular weight of 227.18 g/mol, XLogP of -1.31, 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)-(1,2-oxazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 107434738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).