methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate

C13H26N2O3 — CID 63971410

IUPACmethyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
SMILESCOCC1CCN(CCC(C)(N)C(=O)OC)CC1
InChIInChI=1S/C13H26N2O3/c1-13(14,12(16)18-3)6-9-15-7-4-11(5-8-15)10-17-2/h11H,4-10,14H2,1-3H3
InChIKeyIVQYMCRKDWCCNF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.63
Rot. Bonds6

About methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate

methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate (PubChem CID 63971410) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
PubChem CID63971410
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
SMILESCOCC1CCN(CCC(C)(N)C(=O)OC)CC1
InChIInChI=1S/C13H26N2O3/c1-13(14,12(16)18-3)6-9-15-7-4-11(5-8-15)10-17-2/h11H,4-10,14H2,1-3H3
InChIKeyIVQYMCRKDWCCNF-UHFFFAOYSA-N
XLogP0.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 63972004
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948
2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutan-1-ol
CID 64791805
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride
CID 120834476
2-amino-2-methyl-4-(4-propylpiperidin-1-yl)butanamide
CID 62205252
methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate
CID 63159036
methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583947
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
methyl 2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutanoate
CID 63151003

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate?
The IUPAC name of methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate (CID 63971410) is methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate.
What is the SMILES notation for methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate?
The canonical SMILES for methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate is COCC1CCN(CCC(C)(N)C(=O)OC)CC1.
What is the InChIKey of methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate?
The InChIKey is IVQYMCRKDWCCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(14,12(16)18-3)6-9-15-7-4-11(5-8-15)10-17-2/h11H,4-10,14H2,1-3H3.
What are the key properties of methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate?
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate has a molecular weight of 258.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate is sourced from PubChem (CID 63971410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).