2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid

C14H29N3O2 — CID 55162254

IUPAC2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid
SMILESCN(CCCCC(C)(N)C(=O)O)CCN1CCCC1
InChIInChI=1S/C14H29N3O2/c1-14(15,13(18)19)7-3-4-8-16(2)11-12-17-9-5-6-10-17/h3-12,15H2,1-2H3,(H,18,19)
InChIKeyWYQWOORNEQAPCS-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.99
Rot. Bonds9

About 2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid

2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid (PubChem CID 55162254) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid
PubChem CID55162254
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid
SMILESCN(CCCCC(C)(N)C(=O)O)CCN1CCCC1
InChIInChI=1S/C14H29N3O2/c1-14(15,13(18)19)7-3-4-8-16(2)11-12-17-9-5-6-10-17/h3-12,15H2,1-2H3,(H,18,19)
InChIKeyWYQWOORNEQAPCS-UHFFFAOYSA-N
XLogP0.99
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid?
The IUPAC name of 2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid (CID 55162254) is 2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid.
What is the SMILES notation for 2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid?
The canonical SMILES for 2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid is CN(CCCCC(C)(N)C(=O)O)CCN1CCCC1.
What is the InChIKey of 2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid?
The InChIKey is WYQWOORNEQAPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(15,13(18)19)7-3-4-8-16(2)11-12-17-9-5-6-10-17/h3-12,15H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid?
2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid has a molecular weight of 271.40 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid is sourced from PubChem (CID 55162254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).