3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid

C15H32N2O2 — CID 82329011

IUPAC3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
SMILESCCN(CC)CCCN(CC(C)C)CC(C)C(=O)O
InChIInChI=1S/C15H32N2O2/c1-6-16(7-2)9-8-10-17(11-13(3)4)12-14(5)15(18)19/h13-14H,6-12H2,1-5H3,(H,18,19)
InChIKeyCPIIYDYVDSRDIA-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.40
Rot. Bonds11

About 3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid

3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid (PubChem CID 82329011) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
PubChem CID82329011
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
SMILESCCN(CC)CCCN(CC(C)C)CC(C)C(=O)O
InChIInChI=1S/C15H32N2O2/c1-6-16(7-2)9-8-10-17(11-13(3)4)12-14(5)15(18)19/h13-14H,6-12H2,1-5H3,(H,18,19)
InChIKeyCPIIYDYVDSRDIA-UHFFFAOYSA-N
XLogP2.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
3-[3-(diethylamino)propyl-prop-2-enylamino]-2-methylpropanoic acid
CID 82328033
3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82326827
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
3-[2-(dimethylamino)ethyl-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82330442
3-[butanoyl-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82323456
3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82327090
3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82330163
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid (CID 82329011) is 3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid is CCN(CC)CCCN(CC(C)C)CC(C)C(=O)O.
What is the InChIKey of 3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid?
The InChIKey is CPIIYDYVDSRDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-16(7-2)9-8-10-17(11-13(3)4)12-14(5)15(18)19/h13-14H,6-12H2,1-5H3,(H,18,19).
What are the key properties of 3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid?
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid has a molecular weight of 272.43 g/mol, XLogP of 2.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82329011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).