4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid

C13H24N2O5 — CID 102962656

IUPAC4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)N1CCC(C)C(OC)C1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-9-4-6-15(8-11(9)20-3)13(18)14-10(12(16)17)5-7-19-2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYRBWKUJEWIJTMY-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.54
Rot. Bonds6

About 4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid

4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 102962656) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID102962656
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)N1CCC(C)C(OC)C1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-9-4-6-15(8-11(9)20-3)13(18)14-10(12(16)17)5-7-19-2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYRBWKUJEWIJTMY-UHFFFAOYSA-N
XLogP0.54
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962820
2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 102962543
4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 102962668
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
CID 103536327
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
CID 81084930
4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid
CID 62480436
4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid
CID 62480080
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81082451
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 103536379
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 103536440
(2R)-2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567836

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid (CID 102962656) is 4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid is COCCC(NC(=O)N1CCC(C)C(OC)C1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is YRBWKUJEWIJTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-9-4-6-15(8-11(9)20-3)13(18)14-10(12(16)17)5-7-19-2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 102962656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).