methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate

C12H21NO3 — CID 139719666

IUPACmethyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate
SMILESCOC(=O)CC1(N(C)C(C)=O)CCCCC1
InChIInChI=1S/C12H21NO3/c1-10(14)13(2)12(9-11(15)16-3)7-5-4-6-8-12/h4-9H2,1-3H3
InChIKeyLONOUXVYAKNRLP-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.73
Rot. Bonds3

About methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate

methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate (PubChem CID 139719666) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate
PubChem CID139719666
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate
SMILESCOC(=O)CC1(N(C)C(C)=O)CCCCC1
InChIInChI=1S/C12H21NO3/c1-10(14)13(2)12(9-11(15)16-3)7-5-4-6-8-12/h4-9H2,1-3H3
InChIKeyLONOUXVYAKNRLP-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate?
The IUPAC name of methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate (CID 139719666) is methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate is COC(=O)CC1(N(C)C(C)=O)CCCCC1.
What is the InChIKey of methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate?
The InChIKey is LONOUXVYAKNRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(14)13(2)12(9-11(15)16-3)7-5-4-6-8-12/h4-9H2,1-3H3.
What are the key properties of methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate?
methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate has a molecular weight of 227.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[acetyl(methyl)amino]cyclohexyl]acetate is sourced from PubChem (CID 139719666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).