(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate

C12H21NO3 — CID 81161404

IUPAC(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate
SMILESCOC1CCCC(OC(=O)C2(N)CCC2)C1
InChIInChI=1S/C12H21NO3/c1-15-9-4-2-5-10(8-9)16-11(14)12(13)6-3-7-12/h9-10H,2-8,13H2,1H3
InChIKeyUAVRAKGNOMCVDG-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.37
Rot. Bonds3

About (3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate

(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate (PubChem CID 81161404) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate
PubChem CID81161404
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate
SMILESCOC1CCCC(OC(=O)C2(N)CCC2)C1
InChIInChI=1S/C12H21NO3/c1-15-9-4-2-5-10(8-9)16-11(14)12(13)6-3-7-12/h9-10H,2-8,13H2,1H3
InChIKeyUAVRAKGNOMCVDG-UHFFFAOYSA-N
XLogP1.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate?
The IUPAC name of (3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate (CID 81161404) is (3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate.
What is the SMILES notation for (3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate?
The canonical SMILES for (3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate is COC1CCCC(OC(=O)C2(N)CCC2)C1.
What is the InChIKey of (3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate?
The InChIKey is UAVRAKGNOMCVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-9-4-2-5-10(8-9)16-11(14)12(13)6-3-7-12/h9-10H,2-8,13H2,1H3.
What are the key properties of (3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate?
(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate is sourced from PubChem (CID 81161404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).