2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid

C14H28N2O3 — CID 63972004

IUPAC2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
SMILESCOCC1CCN(CCCCC(C)(N)C(=O)O)CC1
InChIInChI=1S/C14H28N2O3/c1-14(15,13(17)18)7-3-4-8-16-9-5-12(6-10-16)11-19-2/h12H,3-11,15H2,1-2H3,(H,17,18)
InChIKeyUZVFVNZWELBVFE-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.32
Rot. Bonds8

About 2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid

2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid (PubChem CID 63972004) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
PubChem CID63972004
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
SMILESCOCC1CCN(CCCCC(C)(N)C(=O)O)CC1
InChIInChI=1S/C14H28N2O3/c1-14(15,13(17)18)7-3-4-8-16-9-5-12(6-10-16)11-19-2/h12H,3-11,15H2,1-2H3,(H,17,18)
InChIKeyUZVFVNZWELBVFE-UHFFFAOYSA-N
XLogP1.32
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid
CID 62206651
2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
CID 62206652
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410
2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid
CID 102966380
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63977571
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65257995
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid?
The IUPAC name of 2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid (CID 63972004) is 2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid.
What is the SMILES notation for 2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid?
The canonical SMILES for 2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid is COCC1CCN(CCCCC(C)(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid?
The InChIKey is UZVFVNZWELBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(15,13(17)18)7-3-4-8-16-9-5-12(6-10-16)11-19-2/h12H,3-11,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid?
2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid is sourced from PubChem (CID 63972004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).