3-[2-(dimethylamino)propanoylamino]propanoic acid

C8H16N2O3 — CID 126638716

IUPAC3-[2-(dimethylamino)propanoylamino]propanoic acid
SMILESCC(C(=O)NCCC(=O)O)N(C)C
InChIInChI=1S/C8H16N2O3/c1-6(10(2)3)8(13)9-5-4-7(11)12/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyCMLBYDJTFTXQTQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.47
Rot. Bonds5

About 3-[2-(dimethylamino)propanoylamino]propanoic acid

3-[2-(dimethylamino)propanoylamino]propanoic acid (PubChem CID 126638716) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[2-(dimethylamino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)propanoylamino]propanoic acid
PubChem CID126638716
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-[2-(dimethylamino)propanoylamino]propanoic acid
SMILESCC(C(=O)NCCC(=O)O)N(C)C
InChIInChI=1S/C8H16N2O3/c1-6(10(2)3)8(13)9-5-4-7(11)12/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyCMLBYDJTFTXQTQ-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[methyl((113C)methyl)amino](3,4-13C2)butanoylamino]propanoic acid
CID 135251446
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
2-(dimethylamino)-N-(hydroxymethyl)propanamide
CID 13328120
3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid
CID 10353830
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
3-[[6-(acetylamino)-2-(dimethylamino)(613C)hexanoyl](15N)amino](313C)propanoic acid
CID 153498701
3-[[6-(acetylamino)-2-[methyl((113C)methyl)amino]hexanoyl](15N)amino](313C)propanoic acid
CID 153498673
2-(dimethylamino)-N-(2-oxoethyl)propanamide
CID 21254696
3-[2-[methyl((113C)methyl)(15N)amino](5,6-13C2)hexanoylamino]propanoic acid
CID 162702216
3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid
CID 88998079
3-[[3-[[3-(2-carboxyethylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanoyl]amino]propanoic acid
CID 123649575
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
CID 61378500

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)propanoylamino]propanoic acid?
The IUPAC name of 3-[2-(dimethylamino)propanoylamino]propanoic acid (CID 126638716) is 3-[2-(dimethylamino)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)propanoylamino]propanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)propanoylamino]propanoic acid is CC(C(=O)NCCC(=O)O)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)propanoylamino]propanoic acid?
The InChIKey is CMLBYDJTFTXQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(10(2)3)8(13)9-5-4-7(11)12/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12).
What are the key properties of 3-[2-(dimethylamino)propanoylamino]propanoic acid?
3-[2-(dimethylamino)propanoylamino]propanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)propanoylamino]propanoic acid is sourced from PubChem (CID 126638716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).