oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate

C12H21NO3 — CID 102606951

IUPACoxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate
SMILESCCC1CCC(N)(C(=O)OC2COC2)CC1
InChIInChI=1S/C12H21NO3/c1-2-9-3-5-12(13,6-4-9)11(14)16-10-7-15-8-10/h9-10H,2-8,13H2,1H3
InChIKeyIZUWMOLSCSXODX-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.23
Rot. Bonds3

About oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate

oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate (PubChem CID 102606951) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate
PubChem CID102606951
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameoxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate
SMILESCCC1CCC(N)(C(=O)OC2COC2)CC1
InChIInChI=1S/C12H21NO3/c1-2-9-3-5-12(13,6-4-9)11(14)16-10-7-15-8-10/h9-10H,2-8,13H2,1H3
InChIKeyIZUWMOLSCSXODX-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-yl 1-aminocyclopropane-1-carboxylate
CID 65453525
1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate
CID 103489236
cyclobutyl 4-aminooxane-4-carboxylate
CID 115292709
cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
CID 124509233
(4-chlorophenyl)methyl 1-amino-4-ethylcyclohexane-1-carboxylate
CID 65127092
(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate
CID 113280395
methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate
CID 71254204
methyl 1-amino-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 60797220
(3-bromophenyl)methyl 1-amino-4-ethylcyclohexane-1-carboxylate
CID 82823611
(1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate
CID 61283415
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
N-[[4-ethyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]ethanamine
CID 102607725

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate?
The IUPAC name of oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate (CID 102606951) is oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate.
What is the SMILES notation for oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate?
The canonical SMILES for oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate is CCC1CCC(N)(C(=O)OC2COC2)CC1.
What is the InChIKey of oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate?
The InChIKey is IZUWMOLSCSXODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-9-3-5-12(13,6-4-9)11(14)16-10-7-15-8-10/h9-10H,2-8,13H2,1H3.
What are the key properties of oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate?
oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate is sourced from PubChem (CID 102606951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).