2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid

C9H11N3O6 — CID 88740524

IUPAC2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid
SMILESCC(C)(O/N=C(\C(=O)O)c1coc(N)n1)C(=O)O
InChIInChI=1S/C9H11N3O6/c1-9(2,7(15)16)18-12-5(6(13)14)4-3-17-8(10)11-4/h3H,1-2H3,(H2,10,11)(H,13,14)(H,15,16)/b12-5-
InChIKeyDAZTZGLHZJNODE-XGICHPGQSA-N
MW257.20 g/mol
LogP-0.07
Rot. Bonds5

About 2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid

2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid (PubChem CID 88740524) has the molecular formula C9H11N3O6 and a molecular weight of 257.20 g/mol. Its IUPAC name is 2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid
PubChem CID88740524
Molecular FormulaC9H11N3O6
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC Name2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid
SMILESCC(C)(O/N=C(\C(=O)O)c1coc(N)n1)C(=O)O
InChIInChI=1S/C9H11N3O6/c1-9(2,7(15)16)18-12-5(6(13)14)4-3-17-8(10)11-4/h3H,1-2H3,(H2,10,11)(H,13,14)(H,15,16)/b12-5-
InChIKeyDAZTZGLHZJNODE-XGICHPGQSA-N
XLogP-0.07
TPSA148.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6R)-7-[[(2Z)-2-(2-amino-1,3-oxazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 88733542
2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid
CID 172917238
2-amino-1,3-oxazole-4-carboxamide
CID 21094800
2-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloro-2-oxoethylidene]amino]oxy-2-methylpropanoic acid;hydrochloride
CID 131737859
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-methoxy-2-methyl-1-oxobutan-2-yl)oxyiminoacetic acid
CID 173205685
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid
CID 10117176
2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S,4S)-3-methyl-6-oxa-2-azabicyclo[3.1.0]hexan-4-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 172934433
2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid;4-methylmorpholine
CID 173220273
2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(3R,6S)-6-(carboxymethyl)-2-hydroxyoxaborinan-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid
CID 146982392
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
CID 10870340
2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid;N,N-dimethylacetamide
CID 85351612
1-[4-(2-amino-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110850382

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid (CID 88740524) is 2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid is CC(C)(O/N=C(\C(=O)O)c1coc(N)n1)C(=O)O.
What is the InChIKey of 2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid?
The InChIKey is DAZTZGLHZJNODE-XGICHPGQSA-N. The full InChI is InChI=1S/C9H11N3O6/c1-9(2,7(15)16)18-12-5(6(13)14)4-3-17-8(10)11-4/h3H,1-2H3,(H2,10,11)(H,13,14)(H,15,16)/b12-5-.
What are the key properties of 2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid?
2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid has a molecular weight of 257.20 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid is sourced from PubChem (CID 88740524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).