2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid

C15H30N2O2 — CID 62206651

IUPAC2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid
SMILESCCCC1CCN(CCCCC(C)(N)C(=O)O)CC1
InChIInChI=1S/C15H30N2O2/c1-3-6-13-7-11-17(12-8-13)10-5-4-9-15(2,16)14(18)19/h13H,3-12,16H2,1-2H3,(H,18,19)
InChIKeyBINIMBGSPTZPIC-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.47
Rot. Bonds8

About 2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid

2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid (PubChem CID 62206651) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid
PubChem CID62206651
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid
SMILESCCCC1CCN(CCCCC(C)(N)C(=O)O)CC1
InChIInChI=1S/C15H30N2O2/c1-3-6-13-7-11-17(12-8-13)10-5-4-9-15(2,16)14(18)19/h13H,3-12,16H2,1-2H3,(H,18,19)
InChIKeyBINIMBGSPTZPIC-UHFFFAOYSA-N
XLogP2.47
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
CID 62206652
2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 63972004
2-amino-2-methyl-4-(4-propylpiperidin-1-yl)butanamide
CID 62205252
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid
CID 106806311
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
CID 62271022
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
methanesulfonic acid;4-propyl-1-undecylpiperidine
CID 175583605
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
3-(4-propylpiperidin-1-yl)propane-1-sulfinate
CID 174406890

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid?
The IUPAC name of 2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid (CID 62206651) is 2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid.
What is the SMILES notation for 2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid?
The canonical SMILES for 2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid is CCCC1CCN(CCCCC(C)(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid?
The InChIKey is BINIMBGSPTZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-6-13-7-11-17(12-8-13)10-5-4-9-15(2,16)14(18)19/h13H,3-12,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid?
2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid is sourced from PubChem (CID 62206651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).