methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate

C11H22N2O2 — CID 76818290

IUPACmethyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
SMILESCOC(=O)C(N)CCC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-13-7-5-9(6-8-13)3-4-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyNDLPJVMCMOWGJO-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

About methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate

methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate (PubChem CID 76818290) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
PubChem CID76818290
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
SMILESCOC(=O)C(N)CCC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-13-7-5-9(6-8-13)3-4-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyNDLPJVMCMOWGJO-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 2-amino-4-(1-methylpiperidin-3-yl)butanoate
CID 116851548
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
methyl (2R)-2-amino-4-(oxan-4-yl)butanoate
CID 27282389
methyl (2S)-2-amino-4-(4-methylpiperazin-1-yl)butanoate
CID 94964874
methyl 2-methyl-3-(1-methylpyrrolidin-3-yl)propanoate
CID 83980575
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
CID 112709329
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 64583444
2-(1-methylpiperidin-4-yl)ethyl carbamate
CID 141210995
3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one
CID 57097909
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate?
The IUPAC name of methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate (CID 76818290) is methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate.
What is the SMILES notation for methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate?
The canonical SMILES for methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate is COC(=O)C(N)CCC1CCN(C)CC1.
What is the InChIKey of methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate?
The InChIKey is NDLPJVMCMOWGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13-7-5-9(6-8-13)3-4-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate?
methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate is sourced from PubChem (CID 76818290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).