2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid

C13H24N2O3 — CID 63122976

IUPAC2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1(C)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-10(2)8-15(9-11(16)17)12(18)13(3)4-6-14-7-5-13/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyZQJKLBLSORCXLF-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.95
Rot. Bonds5

About 2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63122976) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID63122976
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1(C)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-10(2)8-15(9-11(16)17)12(18)13(3)4-6-14-7-5-13/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyZQJKLBLSORCXLF-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 63122976) is 2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C1(C)CCNCC1.
What is the InChIKey of 2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is ZQJKLBLSORCXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)8-15(9-11(16)17)12(18)13(3)4-6-14-7-5-13/h10,14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63122976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).