2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid

C10H10O10 — CID 87292477

IUPAC2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid
SMILESO=C(O)/C=C\C(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C10H10O10/c11-5(12)1-2-7(15)20-8(16)4-10(19,9(17)18)3-6(13)14/h1-2,19H,3-4H2,(H,11,12)(H,13,14)(H,17,18)/b2-1-
InChIKeyWEKNYUXPKQKRPC-UPHRSURJSA-N
MW290.18 g/mol
LogP-1.62
Rot. Bonds7

About 2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid

2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid (PubChem CID 87292477) has the molecular formula C10H10O10 and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid
PubChem CID87292477
Molecular FormulaC10H10O10
Molecular Weight290.18 g/mol
Exact Mass290.03
IUPAC Name2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid
SMILESO=C(O)/C=C\C(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C10H10O10/c11-5(12)1-2-7(15)20-8(16)4-10(19,9(17)18)3-6(13)14/h1-2,19H,3-4H2,(H,11,12)(H,13,14)(H,17,18)/b2-1-
InChIKeyWEKNYUXPKQKRPC-UPHRSURJSA-N
XLogP-1.62
TPSA175.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid?
The IUPAC name of 2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid (CID 87292477) is 2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid.
What is the SMILES notation for 2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid?
The canonical SMILES for 2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid is O=C(O)/C=C\C(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid?
The InChIKey is WEKNYUXPKQKRPC-UPHRSURJSA-N. The full InChI is InChI=1S/C10H10O10/c11-5(12)1-2-7(15)20-8(16)4-10(19,9(17)18)3-6(13)14/h1-2,19H,3-4H2,(H,11,12)(H,13,14)(H,17,18)/b2-1-.
What are the key properties of 2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid?
2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid has a molecular weight of 290.18 g/mol, XLogP of -1.62, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid is sourced from PubChem (CID 87292477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).