2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid

C13H24N2O4 — CID 79272643

IUPAC2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C13H24N2O4/c1-10-4-5-15(11(2)8-10)13(18)14(6-7-19-3)9-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyGELORUHOSYHGQO-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.26
Rot. Bonds5

About 2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 79272643) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID79272643
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C13H24N2O4/c1-10-4-5-15(11(2)8-10)13(18)14(6-7-19-3)9-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyGELORUHOSYHGQO-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 79272643) is 2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)N1CCC(C)CC1C.
What is the InChIKey of 2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is GELORUHOSYHGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10-4-5-15(11(2)8-10)13(18)14(6-7-19-3)9-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79272643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).