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

C12H22N2O3 — CID 55096796

IUPAC2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC1CCCN(C(=O)CN(C)C(C)C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-9-5-4-6-14(7-9)11(15)8-13(3)10(2)12(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyPKBOYMHNBULRKJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.65
Rot. Bonds4

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

2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid (PubChem CID 55096796) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
PubChem CID55096796
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC1CCCN(C(=O)CN(C)C(C)C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-9-5-4-6-14(7-9)11(15)8-13(3)10(2)12(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyPKBOYMHNBULRKJ-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 71911978
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912587
(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124835751
methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
3-methylpiperidine-1-carboxylic acid
CID 22047728
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124834654

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid (CID 55096796) is 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid is CC1CCCN(C(=O)CN(C)C(C)C(=O)O)C1.
What is the InChIKey of 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is PKBOYMHNBULRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-5-4-6-14(7-9)11(15)8-13(3)10(2)12(16)17/h9-10H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 55096796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).