(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid

C11H16O4 — CID 135353629

IUPAC(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid
SMILESCC1CCCC1(C)/C(=C\C(=O)O)C(=O)O
InChIInChI=1S/C11H16O4/c1-7-4-3-5-11(7,2)8(10(14)15)6-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/b8-6-
InChIKeyGUSKJWFLMHWLDM-VURMDHGXSA-N
MW212.24 g/mol
LogP1.91
Rot. Bonds3

About (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid

(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid (PubChem CID 135353629) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid
PubChem CID135353629
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid
SMILESCC1CCCC1(C)/C(=C\C(=O)O)C(=O)O
InChIInChI=1S/C11H16O4/c1-7-4-3-5-11(7,2)8(10(14)15)6-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/b8-6-
InChIKeyGUSKJWFLMHWLDM-VURMDHGXSA-N
XLogP1.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic 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

2,6,6-Trimethylcyclohexene-1-carboxylic acid
CID 3013889
2,10,10-Trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
CID 45359512
(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid
CID 46937034
4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-indene-1-carboxylic acid
CID 51136570
(8R,8aS)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
CID 38351683
Lychnophoic acid
CID 5459294
(1S,3aR,5E,9Z,12aS)-3a,6-dimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene-10-carboxylic acid
CID 15450496
(-)-Rel-acora-2,4(14),8-trien-15-oic acid
CID 51040470
Zealexin A1
CID 134716638
(3aR,5E,9Z,12aS)-1-isopropyl-3a,6-dimethyl-4,7,8,11,12,12a-hexahydro-3H-cyclopenta[11]annulene-10-carboxylic acid
CID 5316958
(E,6R)-6-[(1'S,3R,6S,7S,7aS)-7-(2-carboxyethyl)-1',7-dimethyl-3'-methylidene-6-prop-1-en-2-ylspiro[2,5,6,7a-tetrahydro-1H-indene-3,2'-cyclopentane]-1'-yl]-2-methyl-4-oxohept-2-enoic acid
CID 13943221
Tremutin H
CID 156011538

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid?
The IUPAC name of (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid (CID 135353629) is (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid.
What is the SMILES notation for (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid?
The canonical SMILES for (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid is CC1CCCC1(C)/C(=C\C(=O)O)C(=O)O.
What is the InChIKey of (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid?
The InChIKey is GUSKJWFLMHWLDM-VURMDHGXSA-N. The full InChI is InChI=1S/C11H16O4/c1-7-4-3-5-11(7,2)8(10(14)15)6-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/b8-6-.
What are the key properties of (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid?
(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid has a molecular weight of 212.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid is sourced from PubChem (CID 135353629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).