(2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid

C6H7NO6 — CID 163903254

IUPAC(2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid
SMILESO=C(O)C/C(=C/C(=O)NO)C(=O)O
InChIInChI=1S/C6H7NO6/c8-4(7-13)1-3(6(11)12)2-5(9)10/h1,13H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
InChIKeyOORADLNDHGQASZ-IWQZZHSRSA-N
MW189.12 g/mol
LogP-1.02
Rot. Bonds4

About (2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid

(2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid (PubChem CID 163903254) has the molecular formula C6H7NO6 and a molecular weight of 189.12 g/mol. Its IUPAC name is (2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid.

Molecular Properties

Compound Name(2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid
PubChem CID163903254
Molecular FormulaC6H7NO6
Molecular Weight189.12 g/mol
Exact Mass189.03
IUPAC Name(2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid
SMILESO=C(O)C/C(=C/C(=O)NO)C(=O)O
InChIInChI=1S/C6H7NO6/c8-4(7-13)1-3(6(11)12)2-5(9)10/h1,13H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
InChIKeyOORADLNDHGQASZ-IWQZZHSRSA-N
XLogP-1.02
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
CID 5280779
(2Z)-2-(fluoromethylidene)butanedioic acid
CID 155605654
2-[2-(carboxymethoxy)-2-oxoethylidene]butanedioic acid
CID 88843467
but-2-ene-1,2,4-tricarboxylic acid
CID 57041970
4-(hydroxyamino)-2-methyl-4-oxobut-2-enoic acid
CID 91349271
pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid
CID 175202783
benzene-1,3,5-tricarboxylic acid;prop-1-ene-1,2,3-tricarboxylic acid
CID 175105263
(Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid
CID 90290384
(2Z)-2-(2,2-dimethylpropylidene)butanedioic acid
CID 89292374
(2E)-2-(2,2-dimethylpropylidene)butanedioic acid
CID 5362877
(Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid
CID 163903255
hexa-2,4-dienoic acid;prop-1-ene-1,2,3-tricarboxylic acid
CID 88845188

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid?
The IUPAC name of (2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid (CID 163903254) is (2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid.
What is the SMILES notation for (2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid?
The canonical SMILES for (2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid is O=C(O)C/C(=C/C(=O)NO)C(=O)O.
What is the InChIKey of (2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid?
The InChIKey is OORADLNDHGQASZ-IWQZZHSRSA-N. The full InChI is InChI=1S/C6H7NO6/c8-4(7-13)1-3(6(11)12)2-5(9)10/h1,13H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-.
What are the key properties of (2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid?
(2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid has a molecular weight of 189.12 g/mol, XLogP of -1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid is sourced from PubChem (CID 163903254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).