methyl 2-amino-2-(1-methylcycloheptyl)acetate

C11H21NO2 — CID 130949608

IUPACmethyl 2-amino-2-(1-methylcycloheptyl)acetate
SMILESCOC(=O)C(N)C1(C)CCCCCC1
InChIInChI=1S/C11H21NO2/c1-11(9(12)10(13)14-2)7-5-3-4-6-8-11/h9H,3-8,12H2,1-2H3
InChIKeyJZGNGVSQJKZMTD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds2

About methyl 2-amino-2-(1-methylcycloheptyl)acetate

methyl 2-amino-2-(1-methylcycloheptyl)acetate (PubChem CID 130949608) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-amino-2-(1-methylcycloheptyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(1-methylcycloheptyl)acetate
PubChem CID130949608
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-amino-2-(1-methylcycloheptyl)acetate
SMILESCOC(=O)C(N)C1(C)CCCCCC1
InChIInChI=1S/C11H21NO2/c1-11(9(12)10(13)14-2)7-5-3-4-6-8-11/h9H,3-8,12H2,1-2H3
InChIKeyJZGNGVSQJKZMTD-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate
CID 156751440
methyl 2-amino-2-(1-fluorocyclohexyl)acetate
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2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid
CID 164530907
methyl (2S)-2-amino-3-(1-methylcyclopentyl)propanoate
CID 58564877
1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate
CID 18731139
methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
CID 106828162
methyl 2-(1-cyanocycloheptyl)-2-hydroxyacetate
CID 79127181
methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate
CID 56931245
methyl (1-methylcycloheptyl) carbonate
CID 172553116
(1S)-1-(1-methylcyclohexyl)ethanamine
CID 130639601
2-(1-methylcyclohexyl)propanedioic acid
CID 12673903
3-(1-methylcyclohexyl)pentane-2,4-dione
CID 21339007

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(1-methylcycloheptyl)acetate?
The IUPAC name of methyl 2-amino-2-(1-methylcycloheptyl)acetate (CID 130949608) is methyl 2-amino-2-(1-methylcycloheptyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(1-methylcycloheptyl)acetate?
The canonical SMILES for methyl 2-amino-2-(1-methylcycloheptyl)acetate is COC(=O)C(N)C1(C)CCCCCC1.
What is the InChIKey of methyl 2-amino-2-(1-methylcycloheptyl)acetate?
The InChIKey is JZGNGVSQJKZMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(9(12)10(13)14-2)7-5-3-4-6-8-11/h9H,3-8,12H2,1-2H3.
What are the key properties of methyl 2-amino-2-(1-methylcycloheptyl)acetate?
methyl 2-amino-2-(1-methylcycloheptyl)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(1-methylcycloheptyl)acetate is sourced from PubChem (CID 130949608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).