3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid

C15H32N2O3 — CID 82330438

IUPAC3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid
SMILESCC(C)OCCCN(CCCN(C)C)CC(C)C(=O)O
InChIInChI=1S/C15H32N2O3/c1-13(2)20-11-7-10-17(9-6-8-16(4)5)12-14(3)15(18)19/h13-14H,6-12H2,1-5H3,(H,18,19)
InChIKeyIAGYYDALUYCHDZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.78
Rot. Bonds12

About 3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid

3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid (PubChem CID 82330438) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid
PubChem CID82330438
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid
SMILESCC(C)OCCCN(CCCN(C)C)CC(C)C(=O)O
InChIInChI=1S/C15H32N2O3/c1-13(2)20-11-7-10-17(9-6-8-16(4)5)12-14(3)15(18)19/h13-14H,6-12H2,1-5H3,(H,18,19)
InChIKeyIAGYYDALUYCHDZ-UHFFFAOYSA-N
XLogP1.78
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethyl-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82330442
3-[hexyl(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid
CID 82328417
3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233
3-[3-ethoxypropyl(propyl)amino]-2-methylpropanoic acid
CID 82328136
3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82330415
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82329011
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
CID 82330638
2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 55007746

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid (CID 82330438) is 3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid is CC(C)OCCCN(CCCN(C)C)CC(C)C(=O)O.
What is the InChIKey of 3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid?
The InChIKey is IAGYYDALUYCHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-13(2)20-11-7-10-17(9-6-8-16(4)5)12-14(3)15(18)19/h13-14H,6-12H2,1-5H3,(H,18,19).
What are the key properties of 3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid?
3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid has a molecular weight of 288.43 g/mol, XLogP of 1.78, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82330438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).