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

C11H20N2O3 — CID 43442399

IUPAC2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESCC1CCCCN1C(=O)CN(C)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-9-5-3-4-6-13(9)10(14)7-12(2)8-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyRKVRGELVYSIGSE-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.40
Rot. Bonds4

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

2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid (PubChem CID 43442399) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
PubChem CID43442399
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESCC1CCCCN1C(=O)CN(C)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-9-5-3-4-6-13(9)10(14)7-12(2)8-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyRKVRGELVYSIGSE-UHFFFAOYSA-N
XLogP0.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54900105
2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007650
2-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 124678250
methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 62011671
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-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 60964706
2-(dipropylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 86910557
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 86908473

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid (CID 43442399) is 2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid is CC1CCCCN1C(=O)CN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The InChIKey is RKVRGELVYSIGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9-5-3-4-6-13(9)10(14)7-12(2)8-11(15)16/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43442399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).