bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid

C11H14O11 — CID 172820992

IUPACbis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/2C4H4O4.C3H6O3/c2*5-3(6)1-2-4(7)8;1-2(4)3(5)6/h2*1-2H,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6)/b2*2-1-;
InChIKeyUFJGBJWNBDULDY-PAMPIZDHSA-N
MW322.22 g/mol
LogP-1.12
Rot. Bonds5

About bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid

bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid (PubChem CID 172820992) has the molecular formula C11H14O11 and a molecular weight of 322.22 g/mol. Its IUPAC name is bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid.

Molecular Properties

Compound Namebis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
PubChem CID172820992
Molecular FormulaC11H14O11
Molecular Weight322.22 g/mol
Exact Mass322.05
IUPAC Namebis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/2C4H4O4.C3H6O3/c2*5-3(6)1-2-4(7)8;1-2(4)3(5)6/h2*1-2H,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6)/b2*2-1-;
InChIKeyUFJGBJWNBDULDY-PAMPIZDHSA-N
XLogP-1.12
TPSA206.73 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
CID 87151083
(Z)-but-2-enedioic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropanedioic acid;2-hydroxypropanoic acid
CID 173180589
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
2-hydroxypropanoic acid
CID 87075455
(E)-5-hydroxy-4-oxohex-2-enoic acid
CID 134350395
butanedioic acid;(Z)-but-2-enedioic acid;2-hydroxypropanoic acid;propanedioic acid
CID 173365167
CID 129137181
CID 129137181
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
2-hydroxypropanoic acid;mercury
CID 88512020
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
CID 123133976
CID 123133976

Frequently Asked Questions

What is the IUPAC name of bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid?
The IUPAC name of bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid (CID 172820992) is bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid.
What is the SMILES notation for bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid?
The canonical SMILES for bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid is CC(O)C(=O)O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.
What is the InChIKey of bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid?
The InChIKey is UFJGBJWNBDULDY-PAMPIZDHSA-N. The full InChI is InChI=1S/2C4H4O4.C3H6O3/c2*5-3(6)1-2-4(7)8;1-2(4)3(5)6/h2*1-2H,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6)/b2*2-1-;.
What are the key properties of bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid?
bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid has a molecular weight of 322.22 g/mol, XLogP of -1.12, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid is sourced from PubChem (CID 172820992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).