3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid

C10H14O5 — CID 87285771

IUPAC3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid
SMILESC=C(COC(CC)C(=C)C(=O)O)C(=O)O
InChIInChI=1S/C10H14O5/c1-4-8(7(3)10(13)14)15-5-6(2)9(11)12/h8H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyXMEYEUMADOEFEN-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.06
Rot. Bonds7

About 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid

3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid (PubChem CID 87285771) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid.

Molecular Properties

Compound Name3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid
PubChem CID87285771
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid
SMILESC=C(COC(CC)C(=C)C(=O)O)C(=O)O
InChIInChI=1S/C10H14O5/c1-4-8(7(3)10(13)14)15-5-6(2)9(11)12/h8H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyXMEYEUMADOEFEN-UHFFFAOYSA-N
XLogP1.06
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloroacetyl)oxy-2-methylidenepentanoic acid
CID 88779410
3-hydroxy-2-methylidenepentanoic acid
CID 15082519
(3S)-3-methyl-2-methylidenepentanoic acid
CID 55303655
3-amino-2-methylidenepentanoic acid
CID 23312012
4,4-diethyl-2-methylidenehexanoic acid
CID 87644977
2-(butoxymethyl)prop-2-enoic acid
CID 23505124
3-ethyl-2-methylideneundecanoic acid
CID 87290389
(3S)-3-hydroxy-2-methylidenebutanoic acid
CID 130723664
3-carbamoyl-2-methylidenepentanoic acid
CID 54049539
4-ethoxy-3-ethoxycarbonyl-2-methylidene-4-oxobutanoic acid
CID 10489613
2-methylidene-3-pentyloctanoic acid
CID 87510029
5-methoxy-2-methylideneheptanoic acid
CID 23448523

Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid?
The IUPAC name of 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid (CID 87285771) is 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid.
What is the SMILES notation for 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid?
The canonical SMILES for 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid is C=C(COC(CC)C(=C)C(=O)O)C(=O)O.
What is the InChIKey of 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid?
The InChIKey is XMEYEUMADOEFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-8(7(3)10(13)14)15-5-6(2)9(11)12/h8H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid?
3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid has a molecular weight of 214.22 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyprop-2-enoxy)-2-methylidenepentanoic acid is sourced from PubChem (CID 87285771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).