(2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone

C14H24N2O2 — CID 107218851

IUPAC(2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
SMILESNC1CCCCCC1C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C14H24N2O2/c15-12-5-3-1-2-4-11(12)13(17)16-8-14(18,9-16)10-6-7-10/h10-12,18H,1-9,15H2
InChIKeyWQJUEUPYUZXHRD-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.88
Rot. Bonds2

About (2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone

(2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 107218851) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID107218851
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
SMILESNC1CCCCCC1C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C14H24N2O2/c15-12-5-3-1-2-4-11(12)13(17)16-8-14(18,9-16)10-6-7-10/h10-12,18H,1-9,15H2
InChIKeyWQJUEUPYUZXHRD-UHFFFAOYSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone
CID 103282581
(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404307
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66475400
(2-aminocyclopentyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220787
2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99849854
(2-aminocyclopentyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 119800762
(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696323
(2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810965
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103
(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464588
(2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227366

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone (CID 107218851) is (2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone is NC1CCCCCC1C(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of (2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is WQJUEUPYUZXHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-12-5-3-1-2-4-11(12)13(17)16-8-14(18,9-16)10-6-7-10/h10-12,18H,1-9,15H2.
What are the key properties of (2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
(2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107218851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).