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

C13H24N2O3 — CID 55007650

IUPAC2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC(CN(C)CC(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(13(17)18)8-14(3)9-12(16)15-7-5-4-6-11(15)2/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyRKWLVWOUMGTLLR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds5

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

2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid (PubChem CID 55007650) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
PubChem CID55007650
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC(CN(C)CC(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(13(17)18)8-14(3)9-12(16)15-7-5-4-6-11(15)2/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyRKWLVWOUMGTLLR-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 62011671
2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54900105
1-(2-methylpiperidin-1-yl)-2-[methyl(piperidin-2-ylmethyl)amino]ethanone
CID 106635178
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
methyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026079
(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid
CID 98191086
2-(dipropylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 86910557
3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid
CID 43468436
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid (CID 55007650) is 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid is CC(CN(C)CC(=O)N1CCCCC1C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is RKWLVWOUMGTLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(13(17)18)8-14(3)9-12(16)15-7-5-4-6-11(15)2/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 55007650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).