3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid

C16H26N2O2 — CID 82330379

IUPAC3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)CCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-17(2)11-6-12-18(14-10-16(19)20)13-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H,19,20)
InChIKeyRGLNMKMAWPKFJL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.96
Rot. Bonds10

About 3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid

3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid (PubChem CID 82330379) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid
PubChem CID82330379
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)CCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-17(2)11-6-12-18(14-10-16(19)20)13-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H,19,20)
InChIKeyRGLNMKMAWPKFJL-UHFFFAOYSA-N
XLogP1.96
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-oxopropyl(2-phenylethyl)amino]propanoic acid
CID 82329103
butanoic acid;N,N-dimethyl-2-phenylethanamine
CID 174426919
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
azane;3-(dibenzylamino)propanoic acid
CID 162310692
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
3-[4-butyl-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 95532524
4-[benzyl(2-phenylethyl)amino]-N-hydroxybutanamide
CID 155156496
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
N,N-dimethyl-3-phenylpropan-1-amine;nitric acid
CID 173132707

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid (CID 82330379) is 3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid is CN(C)CCCN(CCC(=O)O)CCc1ccccc1.
What is the InChIKey of 3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid?
The InChIKey is RGLNMKMAWPKFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17(2)11-6-12-18(14-10-16(19)20)13-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H,19,20).
What are the key properties of 3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid?
3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid has a molecular weight of 278.40 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 82330379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).