(Z)-3-hydroxy-2-methylpent-2-enoic acid

C6H10O3 — CID 54723560

IUPAC(Z)-3-hydroxy-2-methylpent-2-enoic acid
SMILESCC/C(O)=C(\C)C(=O)O
InChIInChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h7H,3H2,1-2H3,(H,8,9)/b5-4-
InChIKeyCEGKSTKNXGWVCA-PLNGDYQASA-N
MW130.14 g/mol
LogP1.31
Rot. Bonds2

About (Z)-3-hydroxy-2-methylpent-2-enoic acid

(Z)-3-hydroxy-2-methylpent-2-enoic acid (PubChem CID 54723560) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-methylpent-2-enoic acid
PubChem CID54723560
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(Z)-3-hydroxy-2-methylpent-2-enoic acid
SMILESCC/C(O)=C(\C)C(=O)O
InChIInChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h7H,3H2,1-2H3,(H,8,9)/b5-4-
InChIKeyCEGKSTKNXGWVCA-PLNGDYQASA-N
XLogP1.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.31
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)-2,3-dimethylbut-2-enedioic acid
CID 88647549
(Z)-3-hydroxy-2-methyl-4-nitrosobut-2-enoic acid
CID 138627274
(E)-3-ethyl-2-methyl-4-oxopent-2-enedioic acid
CID 87224687
mercury(2+);propanoic acid
CID 23623813
3-(dimethylamino)-2-methylpent-2-enoic acid
CID 57208112
(E)-2-methyl-3-(methylamino)pent-2-enoic acid
CID 87166202
(Z)-3-hydroxy-2,6-dimethylhept-2-enoic acid
CID 87139174
3-hydroxy-2,6-dimethylhept-2-enoic acid
CID 140576273
2-chloro-3-hydroxypent-2-enoic acid
CID 134274549
(E)-3-isocyanato-2-methylpent-2-enoic acid;propan-2-one
CID 87848331
(E)-3-ethylsulfonyl-2-methylpent-2-enoic acid
CID 87484612
6-chloro-3-hydroxy-2-methylhex-2-enoic acid
CID 154493501

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-methylpent-2-enoic acid?
The IUPAC name of (Z)-3-hydroxy-2-methylpent-2-enoic acid (CID 54723560) is (Z)-3-hydroxy-2-methylpent-2-enoic acid.
What is the SMILES notation for (Z)-3-hydroxy-2-methylpent-2-enoic acid?
The canonical SMILES for (Z)-3-hydroxy-2-methylpent-2-enoic acid is CC/C(O)=C(\C)C(=O)O.
What is the InChIKey of (Z)-3-hydroxy-2-methylpent-2-enoic acid?
The InChIKey is CEGKSTKNXGWVCA-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h7H,3H2,1-2H3,(H,8,9)/b5-4-.
What are the key properties of (Z)-3-hydroxy-2-methylpent-2-enoic acid?
(Z)-3-hydroxy-2-methylpent-2-enoic acid has a molecular weight of 130.14 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-methylpent-2-enoic acid is sourced from PubChem (CID 54723560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).