4-cyclopropyl-2-ethoxycarbonylbutanoic acid

C10H16O4 — CID 103973612

IUPAC4-cyclopropyl-2-ethoxycarbonylbutanoic acid
SMILESCCOC(=O)C(CCC1CC1)C(=O)O
InChIInChI=1S/C10H16O4/c1-2-14-10(13)8(9(11)12)6-5-7-3-4-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyWQDANDINFCMQJJ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.44
Rot. Bonds6

About 4-cyclopropyl-2-ethoxycarbonylbutanoic acid

4-cyclopropyl-2-ethoxycarbonylbutanoic acid (PubChem CID 103973612) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-cyclopropyl-2-ethoxycarbonylbutanoic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-ethoxycarbonylbutanoic acid
PubChem CID103973612
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-cyclopropyl-2-ethoxycarbonylbutanoic acid
SMILESCCOC(=O)C(CCC1CC1)C(=O)O
InChIInChI=1S/C10H16O4/c1-2-14-10(13)8(9(11)12)6-5-7-3-4-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyWQDANDINFCMQJJ-UHFFFAOYSA-N
XLogP1.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-cycloheptyl-2-ethoxycarbonylpentanoic acid
CID 54419492
diethyl 2-(2-piperidin-4-ylethyl)propanedioate
CID 57155204
3-oxo-2-[2-(4-propylcyclohexyl)ethyl]butanoic acid
CID 142651191
4-(3-cyclohexylpropoxy)-2-ethoxycarbonylbutanoic acid
CID 54183825
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
ethyl 2-acetyl-5-cyclohexylpentanoate
CID 18370639
2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid
CID 22042505
2-ethoxycarbonyl-6-hydroxyhexanoic acid
CID 54281479
ethyl 2-(4-ethylcyclohexanecarbonyl)pentanoate
CID 83049003
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275
3-ethoxy-3-oxo-2-(pyrrolidin-3-ylmethyl)propanoic acid
CID 70398135

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-ethoxycarbonylbutanoic acid?
The IUPAC name of 4-cyclopropyl-2-ethoxycarbonylbutanoic acid (CID 103973612) is 4-cyclopropyl-2-ethoxycarbonylbutanoic acid.
What is the SMILES notation for 4-cyclopropyl-2-ethoxycarbonylbutanoic acid?
The canonical SMILES for 4-cyclopropyl-2-ethoxycarbonylbutanoic acid is CCOC(=O)C(CCC1CC1)C(=O)O.
What is the InChIKey of 4-cyclopropyl-2-ethoxycarbonylbutanoic acid?
The InChIKey is WQDANDINFCMQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-14-10(13)8(9(11)12)6-5-7-3-4-7/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-cyclopropyl-2-ethoxycarbonylbutanoic acid?
4-cyclopropyl-2-ethoxycarbonylbutanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-ethoxycarbonylbutanoic acid is sourced from PubChem (CID 103973612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).