methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate

C12H24N2O3 — CID 106588642

IUPACmethyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
SMILESCOCC1CCCN(CC(C)(N)C(=O)OC)C1
InChIInChI=1S/C12H24N2O3/c1-12(13,11(15)17-3)9-14-6-4-5-10(7-14)8-16-2/h10H,4-9,13H2,1-3H3
InChIKeyZOGMBXLDXKANBX-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.24
Rot. Bonds5

About methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate

methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate (PubChem CID 106588642) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
PubChem CID106588642
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
SMILESCOCC1CCCN(CC(C)(N)C(=O)OC)C1
InChIInChI=1S/C12H24N2O3/c1-12(13,11(15)17-3)9-14-6-4-5-10(7-14)8-16-2/h10H,4-9,13H2,1-3H3
InChIKeyZOGMBXLDXKANBX-UHFFFAOYSA-N
XLogP0.24
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583947
2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 106588532
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
ethyl 2-cyclopropyl-3-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanoate
CID 106588689
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid
CID 106589084
methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate
CID 79631848
2-cyclopropyl-2-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106588673
methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate
CID 102984510
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentan-1-ol
CID 106589129

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate (CID 106588642) is methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate is COCC1CCCN(CC(C)(N)C(=O)OC)C1.
What is the InChIKey of methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate?
The InChIKey is ZOGMBXLDXKANBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(13,11(15)17-3)9-14-6-4-5-10(7-14)8-16-2/h10H,4-9,13H2,1-3H3.
What are the key properties of methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate?
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 106588642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).