methyl 2-(3-amino-1-methylazepan-3-yl)acetate

C10H20N2O2 — CID 83908328

IUPACmethyl 2-(3-amino-1-methylazepan-3-yl)acetate
SMILESCOC(=O)CC1(N)CCCCN(C)C1
InChIInChI=1S/C10H20N2O2/c1-12-6-4-3-5-10(11,8-12)7-9(13)14-2/h3-8,11H2,1-2H3
InChIKeyKTSTWRIVIXYIKK-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds2

About methyl 2-(3-amino-1-methylazepan-3-yl)acetate

methyl 2-(3-amino-1-methylazepan-3-yl)acetate (PubChem CID 83908328) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-(3-amino-1-methylazepan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-1-methylazepan-3-yl)acetate
PubChem CID83908328
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-(3-amino-1-methylazepan-3-yl)acetate
SMILESCOC(=O)CC1(N)CCCCN(C)C1
InChIInChI=1S/C10H20N2O2/c1-12-6-4-3-5-10(11,8-12)7-9(13)14-2/h3-8,11H2,1-2H3
InChIKeyKTSTWRIVIXYIKK-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1-methylpiperidin-3-yl)acetamide
CID 83682898
2-(3-amino-1-methylpiperidin-3-yl)acetate
CID 86649846
methyl 2-(4-amino-1,1-dioxothian-4-yl)acetate
CID 75356327
methyl 2-(3-aminooxan-3-yl)acetate
CID 75356322
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
methyl 2-(3-aminopyrrolidin-3-yl)acetate
CID 115012363
1-(4-amino-1-methylazepan-4-yl)propan-2-one
CID 115016769
3-(fluoromethyl)-1-methylpiperidin-3-amine
CID 84762965
1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine
CID 84734630
1-(3-amino-1-methylazetidin-3-yl)propan-2-one
CID 115011480
methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate
CID 65235247
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-1-methylazepan-3-yl)acetate?
The IUPAC name of methyl 2-(3-amino-1-methylazepan-3-yl)acetate (CID 83908328) is methyl 2-(3-amino-1-methylazepan-3-yl)acetate.
What is the SMILES notation for methyl 2-(3-amino-1-methylazepan-3-yl)acetate?
The canonical SMILES for methyl 2-(3-amino-1-methylazepan-3-yl)acetate is COC(=O)CC1(N)CCCCN(C)C1.
What is the InChIKey of methyl 2-(3-amino-1-methylazepan-3-yl)acetate?
The InChIKey is KTSTWRIVIXYIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12-6-4-3-5-10(11,8-12)7-9(13)14-2/h3-8,11H2,1-2H3.
What are the key properties of methyl 2-(3-amino-1-methylazepan-3-yl)acetate?
methyl 2-(3-amino-1-methylazepan-3-yl)acetate has a molecular weight of 200.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-1-methylazepan-3-yl)acetate is sourced from PubChem (CID 83908328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).