(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate

C12H21NO3 — CID 66239919

IUPAC(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate
SMILESCC1CCC(OC(=O)C2COCC2N)CC1
InChIInChI=1S/C12H21NO3/c1-8-2-4-9(5-3-8)16-12(14)10-6-15-7-11(10)13/h8-11H,2-7,13H2,1H3
InChIKeyVIZYPWYEBYCYHB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.08
Rot. Bonds2

About (4-methylcyclohexyl) 4-aminooxolane-3-carboxylate

(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate (PubChem CID 66239919) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (4-methylcyclohexyl) 4-aminooxolane-3-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate
PubChem CID66239919
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate
SMILESCC1CCC(OC(=O)C2COCC2N)CC1
InChIInChI=1S/C12H21NO3/c1-8-2-4-9(5-3-8)16-12(14)10-6-15-7-11(10)13/h8-11H,2-7,13H2,1H3
InChIKeyVIZYPWYEBYCYHB-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethyloxan-4-yl) 4-aminooxolane-3-carboxylate
CID 113369243
tert-butyl 4-aminooxolane-3-carboxylate
CID 66239321
2-cyclopropylethyl 4-aminooxolane-3-carboxylate
CID 106202631
2-methylpropyl 4-aminooxolane-3-carboxylate
CID 66239922
(4-methylcyclohexyl) carbamate
CID 22083226
trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 130734937
pentan-2-yl 4-aminooxolane-3-carboxylate
CID 102982710
4-amino-N-(2-ethoxyethyl)oxolane-3-carboxamide
CID 66239012
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate
CID 104563231
cycloheptylmethyl 4-aminooxolane-3-carboxylate
CID 114248590
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 4-aminooxolane-3-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 4-aminooxolane-3-carboxylate (CID 66239919) is (4-methylcyclohexyl) 4-aminooxolane-3-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 4-aminooxolane-3-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 4-aminooxolane-3-carboxylate is CC1CCC(OC(=O)C2COCC2N)CC1.
What is the InChIKey of (4-methylcyclohexyl) 4-aminooxolane-3-carboxylate?
The InChIKey is VIZYPWYEBYCYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-2-4-9(5-3-8)16-12(14)10-6-15-7-11(10)13/h8-11H,2-7,13H2,1H3.
What are the key properties of (4-methylcyclohexyl) 4-aminooxolane-3-carboxylate?
(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 4-aminooxolane-3-carboxylate is sourced from PubChem (CID 66239919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).