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

C13H26N2O3 — CID 82323749

IUPAC3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)C(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-13(2,3)12(18)15(10-7-11(16)17)9-6-8-14(4)5/h6-10H2,1-5H3,(H,16,17)
InChIKeyUELSLAHMNDCWIH-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.29
Rot. Bonds7

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

3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid (PubChem CID 82323749) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid
PubChem CID82323749
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)C(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-13(2,3)12(18)15(10-7-11(16)17)9-6-8-14(4)5/h6-10H2,1-5H3,(H,16,17)
InChIKeyUELSLAHMNDCWIH-UHFFFAOYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid
CID 82323720
3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323769
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 55228127
2-(dimethylamino)ethanol;hexanedioic acid
CID 159637742
6-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-6-oxohexanoic acid
CID 102994623
5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
CID 102994626
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
3-[3-hydroxypropyl-(2,2,2-trichloroacetyl)amino]propanoic acid
CID 82325919

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid (CID 82323749) is 3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid is CN(C)CCCN(CCC(=O)O)C(=O)C(C)(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid?
The InChIKey is UELSLAHMNDCWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,3)12(18)15(10-7-11(16)17)9-6-8-14(4)5/h6-10H2,1-5H3,(H,16,17).
What are the key properties of 3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid?
3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 82323749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).