1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid

C15H25NO4 — CID 120700240

IUPAC1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)CCC2CC2)(C(=O)O)C1(C)C
InChIInChI=1S/C15H25NO4/c1-4-20-11-9-15(13(18)19,14(11,2)3)16-12(17)8-7-10-5-6-10/h10-11H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyCKHSRIHMQYFFRG-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.95
Rot. Bonds7

About 1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid

1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 120700240) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID120700240
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)CCC2CC2)(C(=O)O)C1(C)C
InChIInChI=1S/C15H25NO4/c1-4-20-11-9-15(13(18)19,14(11,2)3)16-12(17)8-7-10-5-6-10/h10-11H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyCKHSRIHMQYFFRG-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-2,2-dimethyl-1-[(2-methylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 120700341
1-[4-(2,2-dimethylpropanoylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700108
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699966
3-ethoxy-2,2-dimethyl-1-[[2-(3-methylcyclohexyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120700400
3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid
CID 120699517
3-ethoxy-1-[[2-(4-hydroxyphenyl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699950
1-[4-(4-chlorophenyl)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700441
1-[3-(5-chlorothiophen-2-yl)propanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700609
1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699357
3-ethoxy-1-(3-ethylheptanoylamino)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700585
1-[4-(2-chlorophenoxy)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699694
1-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700047

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid (CID 120700240) is 1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid is CCOC1CC(NC(=O)CCC2CC2)(C(=O)O)C1(C)C.
What is the InChIKey of 1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is CKHSRIHMQYFFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-20-11-9-15(13(18)19,14(11,2)3)16-12(17)8-7-10-5-6-10/h10-11H,4-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 120700240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).