cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid

C15H23NO4 — CID 129467392

IUPACcis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C15H23NO4/c17-14(12-9-13(12)15(18)19)16-7-5-11(6-8-16)20-10-3-1-2-4-10/h10-13H,1-9H2,(H,18,19)/t12-,13+/m1/s1
InChIKeyGTFFXZIWHYKPDB-OLZOCXBDSA-N
MW281.35 g/mol
LogP1.66
Rot. Bonds4

About cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 129467392) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID129467392
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namecis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C15H23NO4/c17-14(12-9-13(12)15(18)19)16-7-5-11(6-8-16)20-10-3-1-2-4-10/h10-13H,1-9H2,(H,18,19)/t12-,13+/m1/s1
InChIKeyGTFFXZIWHYKPDB-OLZOCXBDSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119184663
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 114092241
(4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone
CID 99789161
(4-cyclohexyloxypiperidin-1-yl)-[(1R,2S)-2-nitrocyclopropyl]methanone
CID 99789158
cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 114093135
trans-(1R,2R)-2-[4-(4-fluorophenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119735
2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 63971917
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62936035
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 129467392) is cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1C(=O)N1CCC(OC2CCCC2)CC1.
What is the InChIKey of cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is GTFFXZIWHYKPDB-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23NO4/c17-14(12-9-13(12)15(18)19)16-7-5-11(6-8-16)20-10-3-1-2-4-10/h10-13H,1-9H2,(H,18,19)/t12-,13+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 281.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 129467392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).