methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate

C11H22N2O2 — CID 102984510

IUPACmethyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCC[C@@H](N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15-3)8-13-6-4-5-9(12)7-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeyJZORNVHWOLXCDE-SECBINFHSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate

methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate (PubChem CID 102984510) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate
PubChem CID102984510
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCC[C@@H](N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15-3)8-13-6-4-5-9(12)7-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeyJZORNVHWOLXCDE-SECBINFHSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride
CID 164888555
methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate
CID 79631848
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 114502582
methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate
CID 79621134
methyl 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoate
CID 103976271
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate
CID 106670150
methyl 2,2-dimethyl-3-(1,4-oxazepan-4-yl)propanoate
CID 79620916
tert-butyl 3-(3-aminopiperidin-1-yl)propanoate
CID 116662806
methyl 3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621757
methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride
CID 120834476
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate (CID 102984510) is methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CCC[C@@H](N)C1.
What is the InChIKey of methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate?
The InChIKey is JZORNVHWOLXCDE-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,10(14)15-3)8-13-6-4-5-9(12)7-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate?
methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 102984510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).