(Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate

C7H3O8-3 — CID 162420426

IUPAC(Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate
SMILESO=C([O-])/C=C(\C(=O)C(=O)[O-])C(O)C(=O)[O-]
InChIInChI=1S/C7H6O8/c8-3(9)1-2(4(10)6(12)13)5(11)7(14)15/h1,4,10H,(H,8,9)(H,12,13)(H,14,15)/p-3/b2-1-
InChIKeyVRRVQIFFMQKVSN-UPHRSURJSA-K
MW215.09 g/mol
LogP-5.91
Rot. Bonds5

About (Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate

(Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate (PubChem CID 162420426) has the molecular formula C7H3O8-3 and a molecular weight of 215.09 g/mol. Its IUPAC name is (Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate.

Molecular Properties

Compound Name(Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate
PubChem CID162420426
Molecular FormulaC7H3O8-3
Molecular Weight215.09 g/mol
Exact Mass214.98
IUPAC Name(Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate
SMILESO=C([O-])/C=C(\C(=O)C(=O)[O-])C(O)C(=O)[O-]
InChIInChI=1S/C7H6O8/c8-3(9)1-2(4(10)6(12)13)5(11)7(14)15/h1,4,10H,(H,8,9)(H,12,13)(H,14,15)/p-3/b2-1-
InChIKeyVRRVQIFFMQKVSN-UPHRSURJSA-K
XLogP-5.91
TPSA157.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 5-5.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate?
The IUPAC name of (Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate (CID 162420426) is (Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate.
What is the SMILES notation for (Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate?
The canonical SMILES for (Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate is O=C([O-])/C=C(\C(=O)C(=O)[O-])C(O)C(=O)[O-].
What is the InChIKey of (Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate?
The InChIKey is VRRVQIFFMQKVSN-UPHRSURJSA-K. The full InChI is InChI=1S/C7H6O8/c8-3(9)1-2(4(10)6(12)13)5(11)7(14)15/h1,4,10H,(H,8,9)(H,12,13)(H,14,15)/p-3/b2-1-.
What are the key properties of (Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate?
(Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate has a molecular weight of 215.09 g/mol, XLogP of -5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(carboxylatoformyl)-4-hydroxypent-2-enedioate is sourced from PubChem (CID 162420426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).