(Z)-3-hydroxypent-2-enoic acid

C5H8O3 — CID 54693198

IUPAC(Z)-3-hydroxypent-2-enoic acid
SMILESCC/C(O)=C/C(=O)O
InChIInChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h3,6H,2H2,1H3,(H,7,8)/b4-3-
InChIKeyFFAGDVXXFLQLIM-ARJAWSKDSA-N
MW116.12 g/mol
LogP0.92
Rot. Bonds2

About (Z)-3-hydroxypent-2-enoic acid

(Z)-3-hydroxypent-2-enoic acid (PubChem CID 54693198) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (Z)-3-hydroxypent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-hydroxypent-2-enoic acid
PubChem CID54693198
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(Z)-3-hydroxypent-2-enoic acid
SMILESCC/C(O)=C/C(=O)O
InChIInChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h3,6H,2H2,1H3,(H,7,8)/b4-3-
InChIKeyFFAGDVXXFLQLIM-ARJAWSKDSA-N
XLogP0.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-hydroxyhept-4-en-3-one
CID 6912872
(Z)-3-hydroxyhex-2-enoic acid
CID 54724955
(E)-3-methylpent-2-enoic acid
CID 5473433
(Z)-3-aminopent-2-enoic acid
CID 21472497
(E)-3-iodopent-2-enoic acid
CID 15420267
3-hydroxyhex-2-enedioic acid
CID 167993214
(Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid
CID 134261232
(Z)-but-2-enedioic acid;propanoic acid
CID 88602405
4-deuterio-5-hydroxyhept-4-en-3-one
CID 158475256
acetic acid;azane;(E)-hex-3-en-3-ol
CID 173148729
3,3-bis(ethylamino)prop-2-enoic acid
CID 87416208
(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxypent-2-enoic acid?
The IUPAC name of (Z)-3-hydroxypent-2-enoic acid (CID 54693198) is (Z)-3-hydroxypent-2-enoic acid.
What is the SMILES notation for (Z)-3-hydroxypent-2-enoic acid?
The canonical SMILES for (Z)-3-hydroxypent-2-enoic acid is CC/C(O)=C/C(=O)O.
What is the InChIKey of (Z)-3-hydroxypent-2-enoic acid?
The InChIKey is FFAGDVXXFLQLIM-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h3,6H,2H2,1H3,(H,7,8)/b4-3-.
What are the key properties of (Z)-3-hydroxypent-2-enoic acid?
(Z)-3-hydroxypent-2-enoic acid has a molecular weight of 116.12 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxypent-2-enoic acid is sourced from PubChem (CID 54693198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).