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

C7H10O7 — CID 87151083

IUPAC(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C3H6O3/c5-3(6)1-2-4(7)8;1-2(4)3(5)6/h1-2H,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6)/b2-1-;
InChIKeyGLUCVWFGSMGWDI-ODZAUARKSA-N
MW206.15 g/mol
LogP-0.84
Rot. Bonds3

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

(Z)-but-2-enedioic acid;2-hydroxypropanoic acid (PubChem CID 87151083) has the molecular formula C7H10O7 and a molecular weight of 206.15 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-hydroxypropanoic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
PubChem CID87151083
Molecular FormulaC7H10O7
Molecular Weight206.15 g/mol
Exact Mass206.04
IUPAC Name(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C3H6O3/c5-3(6)1-2-4(7)8;1-2(4)3(5)6/h1-2H,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6)/b2-1-;
InChIKeyGLUCVWFGSMGWDI-ODZAUARKSA-N
XLogP-0.84
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
CID 172820992
(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 (Z)-but-2-enedioic acid;2-hydroxypropanoic acid?
The IUPAC name of (Z)-but-2-enedioic acid;2-hydroxypropanoic acid (CID 87151083) is (Z)-but-2-enedioic acid;2-hydroxypropanoic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-hydroxypropanoic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;2-hydroxypropanoic acid is CC(O)C(=O)O.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-hydroxypropanoic acid?
The InChIKey is GLUCVWFGSMGWDI-ODZAUARKSA-N. The full InChI is InChI=1S/C4H4O4.C3H6O3/c5-3(6)1-2-4(7)8;1-2(4)3(5)6/h1-2H,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6)/b2-1-;.
What are the key properties of (Z)-but-2-enedioic acid;2-hydroxypropanoic acid?
(Z)-but-2-enedioic acid;2-hydroxypropanoic acid has a molecular weight of 206.15 g/mol, XLogP of -0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-hydroxypropanoic acid is sourced from PubChem (CID 87151083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).