2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid

C13H26N2O3 — CID 102966380

IUPAC2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid
SMILESCOC1CN(CCCC(C)(N)C(=O)O)CCC1C
InChIInChI=1S/C13H26N2O3/c1-10-5-8-15(9-11(10)18-3)7-4-6-13(2,14)12(16)17/h10-11H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyUFNJDYYLSCMRQC-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.93
Rot. Bonds6

About 2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid

2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid (PubChem CID 102966380) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid
PubChem CID102966380
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid
SMILESCOC1CN(CCCC(C)(N)C(=O)O)CCC1C
InChIInChI=1S/C13H26N2O3/c1-10-5-8-15(9-11(10)18-3)7-4-6-13(2,14)12(16)17/h10-11H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyUFNJDYYLSCMRQC-UHFFFAOYSA-N
XLogP0.93
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid?
The IUPAC name of 2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid (CID 102966380) is 2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid?
The canonical SMILES for 2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid is COC1CN(CCCC(C)(N)C(=O)O)CCC1C.
What is the InChIKey of 2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid?
The InChIKey is UFNJDYYLSCMRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10-5-8-15(9-11(10)18-3)7-4-6-13(2,14)12(16)17/h10-11H,4-9,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid?
2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid is sourced from PubChem (CID 102966380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).