(2E)-2-oxidoiminopentanedioic acid

C5H6NO5- — CID 54724015

IUPAC(2E)-2-oxidoiminopentanedioic acid
SMILESO=C(O)CC/C(=N\[O-])C(=O)O
InChIInChI=1S/C5H7NO5/c7-4(8)2-1-3(6-11)5(9)10/h11H,1-2H2,(H,7,8)(H,9,10)/p-1/b6-3+
InChIKeyRSXBEVMDACDZRB-ZZXKWVIFSA-M
MW160.10 g/mol
LogP-0.13
Rot. Bonds4

About (2E)-2-oxidoiminopentanedioic acid

(2E)-2-oxidoiminopentanedioic acid (PubChem CID 54724015) has the molecular formula C5H6NO5- and a molecular weight of 160.10 g/mol. Its IUPAC name is (2E)-2-oxidoiminopentanedioic acid.

Molecular Properties

Compound Name(2E)-2-oxidoiminopentanedioic acid
PubChem CID54724015
Molecular FormulaC5H6NO5-
Molecular Weight160.10 g/mol
Exact Mass160.03
IUPAC Name(2E)-2-oxidoiminopentanedioic acid
SMILESO=C(O)CC/C(=N\[O-])C(=O)O
InChIInChI=1S/C5H7NO5/c7-4(8)2-1-3(6-11)5(9)10/h11H,1-2H2,(H,7,8)(H,9,10)/p-1/b6-3+
InChIKeyRSXBEVMDACDZRB-ZZXKWVIFSA-M
XLogP-0.13
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxidoiminobutanedioic acid
CID 141076392
butanedioic acid;2-oxopentanedioic acid
CID 87572846
azane;butanedioic acid;methanol
CID 131741728
bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
lanthanum;2-oxopentanedioic acid
CID 174979483
CID 87242342
CID 87242342
2-oxopentanedioic acid;propanoic acid
CID 159621051
butane;butanedioic acid
CID 158477539

Frequently Asked Questions

What is the IUPAC name of (2E)-2-oxidoiminopentanedioic acid?
The IUPAC name of (2E)-2-oxidoiminopentanedioic acid (CID 54724015) is (2E)-2-oxidoiminopentanedioic acid.
What is the SMILES notation for (2E)-2-oxidoiminopentanedioic acid?
The canonical SMILES for (2E)-2-oxidoiminopentanedioic acid is O=C(O)CC/C(=N\[O-])C(=O)O.
What is the InChIKey of (2E)-2-oxidoiminopentanedioic acid?
The InChIKey is RSXBEVMDACDZRB-ZZXKWVIFSA-M. The full InChI is InChI=1S/C5H7NO5/c7-4(8)2-1-3(6-11)5(9)10/h11H,1-2H2,(H,7,8)(H,9,10)/p-1/b6-3+.
What are the key properties of (2E)-2-oxidoiminopentanedioic acid?
(2E)-2-oxidoiminopentanedioic acid has a molecular weight of 160.10 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-oxidoiminopentanedioic acid is sourced from PubChem (CID 54724015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).