3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid

C13H24N2O4 — CID 65224385

IUPAC3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid
SMILESCC(C)C(CNC(=O)COC1CCNCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)11(13(17)18)7-15-12(16)8-19-10-3-5-14-6-4-10/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZKGCLFFJVURRPF-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.23
Rot. Bonds7

About 3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid

3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid (PubChem CID 65224385) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid
PubChem CID65224385
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid
SMILESCC(C)C(CNC(=O)COC1CCNCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)11(13(17)18)7-15-12(16)8-19-10-3-5-14-6-4-10/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZKGCLFFJVURRPF-UHFFFAOYSA-N
XLogP0.23
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)propyl]-2-piperidin-4-yloxyacetamide
CID 63877258
3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
CID 65224381
3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid
CID 81072441
N-(3-methylbutan-2-yl)-2-piperidin-4-yloxyacetamide
CID 61489309
2-piperidin-4-yloxy-N-(2-piperidin-1-ylpropyl)acetamide
CID 63876570
N-[2-(dimethylamino)-3-ethylpentyl]-2-piperidin-4-yloxyacetamide
CID 63875883
N-(2,3-dimethylbutyl)-3-piperidin-4-yloxypropanamide
CID 64599298
N-hydroxy-2-piperidin-4-yloxyacetamide
CID 63990799
N-(2-aminoethyl)-2-piperidin-4-yloxyacetamide
CID 63876226
N-methoxy-2-piperidin-4-yloxyacetamide
CID 64975041
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-piperidin-4-yloxyacetamide
CID 106350056
N-cyclopropyl-2-[(2-piperidin-4-yloxyacetyl)amino]acetamide
CID 63875672

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid (CID 65224385) is 3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid is CC(C)C(CNC(=O)COC1CCNCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid?
The InChIKey is ZKGCLFFJVURRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)11(13(17)18)7-15-12(16)8-19-10-3-5-14-6-4-10/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid?
3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65224385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).