(2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid

C10H14O4 — CID 70300017

IUPAC(2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid
SMILESCCOC(=O)C1CC/C(=C/C(=O)O)C1
InChIInChI=1S/C10H14O4/c1-2-14-10(13)8-4-3-7(5-8)6-9(11)12/h6,8H,2-5H2,1H3,(H,11,12)/b7-6-
InChIKeySYDCEXUPKCWRPC-SREVYHEPSA-N
MW198.22 g/mol
LogP1.36
Rot. Bonds3

About (2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid

(2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid (PubChem CID 70300017) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid
PubChem CID70300017
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid
SMILESCCOC(=O)C1CC/C(=C/C(=O)O)C1
InChIInChI=1S/C10H14O4/c1-2-14-10(13)8-4-3-7(5-8)6-9(11)12/h6,8H,2-5H2,1H3,(H,11,12)/b7-6-
InChIKeySYDCEXUPKCWRPC-SREVYHEPSA-N
XLogP1.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (1S,3Z)-3-(2-ethoxy-2-oxoethylidene)cyclopentane-1-carboxylate
CID 59547321
ethyl 4-propylidenecyclohexane-1-carboxylate
CID 123984954
ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate
CID 130360758
ethyl (1R)-3-oxocyclohexane-1-carboxylate
CID 6933063
ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate
CID 70850765
ethyl 3-(oxomethylidene)cyclohexane-1-carboxylate
CID 137364089
ethyl 3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylate
CID 129009642
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride
CID 139342927
ethyl 4-oxocyclohexane-1-carboxylate;toluene
CID 174392547
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid?
The IUPAC name of (2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid (CID 70300017) is (2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid?
The canonical SMILES for (2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid is CCOC(=O)C1CC/C(=C/C(=O)O)C1.
What is the InChIKey of (2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid?
The InChIKey is SYDCEXUPKCWRPC-SREVYHEPSA-N. The full InChI is InChI=1S/C10H14O4/c1-2-14-10(13)8-4-3-7(5-8)6-9(11)12/h6,8H,2-5H2,1H3,(H,11,12)/b7-6-.
What are the key properties of (2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid?
(2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid has a molecular weight of 198.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid is sourced from PubChem (CID 70300017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).