2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid

C14H23NO4 — CID 119184663

IUPAC2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCCCOC1CCCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C14H23NO4/c1-2-8-19-10-4-3-6-15(7-5-10)13(16)11-9-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyZGRWXEDOMIRKJX-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds5

About 2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid

2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 119184663) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID119184663
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCCCOC1CCCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C14H23NO4/c1-2-8-19-10-4-3-6-15(7-5-10)13(16)11-9-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyZGRWXEDOMIRKJX-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propoxyazepane-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120673560
cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 129467392
(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119321499
2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one
CID 119321488
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone
CID 119780018
2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996695
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
CID 119321485
2-amino-3-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one;hydrochloride
CID 119780029
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone
CID 125118450
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid (CID 119184663) is 2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid is CCCOC1CCCN(C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZGRWXEDOMIRKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-8-19-10-4-3-6-15(7-5-10)13(16)11-9-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119184663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).