2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid

C5H10N2O4 — CID 118219538

IUPAC2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid
SMILESC/C(=N/OCC(=O)O)C(N)O
InChIInChI=1S/C5H10N2O4/c1-3(5(6)10)7-11-2-4(8)9/h5,10H,2,6H2,1H3,(H,8,9)/b7-3-
InChIKeyXYQMUGSZRDAWMY-CLTKARDFSA-N
MW162.14 g/mol
LogP-1.26
Rot. Bonds4

About 2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid

2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid (PubChem CID 118219538) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid
PubChem CID118219538
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid
SMILESC/C(=N/OCC(=O)O)C(N)O
InChIInChI=1S/C5H10N2O4/c1-3(5(6)10)7-11-2-4(8)9/h5,10H,2,6H2,1H3,(H,8,9)/b7-3-
InChIKeyXYQMUGSZRDAWMY-CLTKARDFSA-N
XLogP-1.26
TPSA105.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutan-2-ylideneamino)oxyacetic acid
CID 77013154
2-(pentan-2-ylideneamino)oxyacetic acid
CID 77013180
2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid
CID 167352426
2-(1-pyridin-4-ylethylideneamino)oxyacetic acid
CID 77013247
2-(heptan-2-ylideneamino)oxyacetic acid
CID 80558488
2-(6,6,6-trifluorohexan-2-ylideneamino)oxyacetic acid
CID 104889945
2-(2-hydroxypropanoyloxy)acetic acid;2-oxopropyl 2-hydroxypropanoate
CID 160871325
2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
CID 123144089
2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
CID 149383039
bis(2-acetyloxyacetic acid);palladium
CID 156697217
2-[(E)-hexadecan-8-ylideneamino]oxyacetic acid
CID 139309073
2-[(E)-(3-methyl-3-phenylbutan-2-ylidene)amino]oxyacetic acid
CID 167352407

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid (CID 118219538) is 2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid is C/C(=N/OCC(=O)O)C(N)O.
What is the InChIKey of 2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid?
The InChIKey is XYQMUGSZRDAWMY-CLTKARDFSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-3(5(6)10)7-11-2-4(8)9/h5,10H,2,6H2,1H3,(H,8,9)/b7-3-.
What are the key properties of 2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid?
2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid has a molecular weight of 162.14 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid is sourced from PubChem (CID 118219538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).