2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid

C12H22N2O3 — CID 54900105

IUPAC2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)N1CCCCC1C
InChIInChI=1S/C12H22N2O3/c1-3-13(9-12(16)17)8-11(15)14-7-5-4-6-10(14)2/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyZKMJEMREUGDTMN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.79
Rot. Bonds5

About 2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid

2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid (PubChem CID 54900105) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
PubChem CID54900105
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)N1CCCCC1C
InChIInChI=1S/C12H22N2O3/c1-3-13(9-12(16)17)8-11(15)14-7-5-4-6-10(14)2/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyZKMJEMREUGDTMN-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipropylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 86910557
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 43442399
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 79662090
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007650
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79283995

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid (CID 54900105) is 2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid is CCN(CC(=O)O)CC(=O)N1CCCCC1C.
What is the InChIKey of 2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The InChIKey is ZKMJEMREUGDTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-13(9-12(16)17)8-11(15)14-7-5-4-6-10(14)2/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 54900105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).