3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid

C4H6N2O4 — CID 135509564

IUPAC3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)N/C=N\O
InChIInChI=1S/C4H6N2O4/c7-3(1-4(8)9)5-2-6-10/h2,10H,1H2,(H,8,9)(H,5,6,7)
InChIKeyAVVODJQTMBHGMM-UHFFFAOYSA-N
MW146.10 g/mol
LogP-1.01
Rot. Bonds3

About 3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid

3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid (PubChem CID 135509564) has the molecular formula C4H6N2O4 and a molecular weight of 146.10 g/mol. Its IUPAC name is 3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid
PubChem CID135509564
Molecular FormulaC4H6N2O4
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)N/C=N\O
InChIInChI=1S/C4H6N2O4/c7-3(1-4(8)9)5-2-6-10/h2,10H,1H2,(H,8,9)(H,5,6,7)
InChIKeyAVVODJQTMBHGMM-UHFFFAOYSA-N
XLogP-1.01
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(hydroxyiminomethyl)-3-oxopent-4-enamide
CID 137193135
buta-1,3-diene;propanedioic acid
CID 122461573
3-(carboxyamino)-3-oxopropanoic acid
CID 21224567
CID 87073401
CID 87073401
propanedioic acid;tungsten
CID 22081019
propanedioic acid;terbium
CID 87785742
3-hydroxyiminopropanoic acid
CID 71373854
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
3-(carbamoylamino)-3-oxopropanoic acid
CID 10290858
methanol;propanedioic acid
CID 87156965
propanedioic acid;hydrate;dihydrochloride
CID 173455263

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid?
The IUPAC name of 3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid (CID 135509564) is 3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid is O=C(O)CC(=O)N/C=N\O.
What is the InChIKey of 3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid?
The InChIKey is AVVODJQTMBHGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O4/c7-3(1-4(8)9)5-2-6-10/h2,10H,1H2,(H,8,9)(H,5,6,7).
What are the key properties of 3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid?
3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid has a molecular weight of 146.10 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-hydroxyiminomethyl]amino]-3-oxopropanoic acid is sourced from PubChem (CID 135509564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).