methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate

C13H24N2O3 — CID 62011671

IUPACmethyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)N1CCCCC1C
InChIInChI=1S/C13H24N2O3/c1-11-6-4-5-8-15(11)12(16)10-14(2)9-7-13(17)18-3/h11H,4-10H2,1-3H3
InChIKeyIDRBXSJSJWZQJQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.88
Rot. Bonds5

About methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate

methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate (PubChem CID 62011671) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
PubChem CID62011671
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)N1CCCCC1C
InChIInChI=1S/C13H24N2O3/c1-11-6-4-5-8-15(11)12(16)10-14(2)9-7-13(17)18-3/h11H,4-10H2,1-3H3
InChIKeyIDRBXSJSJWZQJQ-UHFFFAOYSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 60964706
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 43442399
methyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026079
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
CID 62011095
2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007650
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
2-(dipropylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 86910557
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl 3,3-dimethyl-5-(2-methylazepan-1-yl)-5-oxopentanoate
CID 75483232
1-(2-methylpiperidin-1-yl)-2-[methyl(piperidin-2-ylmethyl)amino]ethanone
CID 106635178

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate (CID 62011671) is methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate is COC(=O)CCN(C)CC(=O)N1CCCCC1C.
What is the InChIKey of methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
The InChIKey is IDRBXSJSJWZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11-6-4-5-8-15(11)12(16)10-14(2)9-7-13(17)18-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 62011671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).