cyclobutyl 3-aminocyclopentane-1-carboxylate

C10H17NO2 — CID 66031804

IUPACcyclobutyl 3-aminocyclopentane-1-carboxylate
SMILESNC1CCC(C(=O)OC2CCC2)C1
InChIInChI=1S/C10H17NO2/c11-8-5-4-7(6-8)10(12)13-9-2-1-3-9/h7-9H,1-6,11H2
InChIKeyKKJXQYJGPXWIOU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.21
Rot. Bonds2

About cyclobutyl 3-aminocyclopentane-1-carboxylate

cyclobutyl 3-aminocyclopentane-1-carboxylate (PubChem CID 66031804) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is cyclobutyl 3-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecyclobutyl 3-aminocyclopentane-1-carboxylate
PubChem CID66031804
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namecyclobutyl 3-aminocyclopentane-1-carboxylate
SMILESNC1CCC(C(=O)OC2CCC2)C1
InChIInChI=1S/C10H17NO2/c11-8-5-4-7(6-8)10(12)13-9-2-1-3-9/h7-9H,1-6,11H2
InChIKeyKKJXQYJGPXWIOU-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate
CID 66031402
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525375
cyclopropyl cyclopropanecarboxylate
CID 54407874
cyclobutyl 3,3-difluorocyclobutane-1-carboxylate
CID 126991531
cyclooctyl cyclooctanecarboxylate
CID 57160377
cyclobutyl cyclopent-3-ene-1-carboxylate
CID 130979385
4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
CID 154411856
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122
(3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate
CID 64731838

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 3-aminocyclopentane-1-carboxylate?
The IUPAC name of cyclobutyl 3-aminocyclopentane-1-carboxylate (CID 66031804) is cyclobutyl 3-aminocyclopentane-1-carboxylate.
What is the SMILES notation for cyclobutyl 3-aminocyclopentane-1-carboxylate?
The canonical SMILES for cyclobutyl 3-aminocyclopentane-1-carboxylate is NC1CCC(C(=O)OC2CCC2)C1.
What is the InChIKey of cyclobutyl 3-aminocyclopentane-1-carboxylate?
The InChIKey is KKJXQYJGPXWIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-8-5-4-7(6-8)10(12)13-9-2-1-3-9/h7-9H,1-6,11H2.
What are the key properties of cyclobutyl 3-aminocyclopentane-1-carboxylate?
cyclobutyl 3-aminocyclopentane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 3-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 66031804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).