3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid

C12H25N3O2 — CID 91329504

IUPAC3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid
SMILESCC1C(CCC(=O)O)CN(C)C(N(C)C)N1C
InChIInChI=1S/C12H25N3O2/c1-9-10(6-7-11(16)17)8-14(4)12(13(2)3)15(9)5/h9-10,12H,6-8H2,1-5H3,(H,16,17)
InChIKeyZRSPRNUUNDPQOI-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.58
Rot. Bonds4

About 3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid

3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid (PubChem CID 91329504) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid
PubChem CID91329504
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid
SMILESCC1C(CCC(=O)O)CN(C)C(N(C)C)N1C
InChIInChI=1S/C12H25N3O2/c1-9-10(6-7-11(16)17)8-14(4)12(13(2)3)15(9)5/h9-10,12H,6-8H2,1-5H3,(H,16,17)
InChIKeyZRSPRNUUNDPQOI-UHFFFAOYSA-N
XLogP0.58
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid?
The IUPAC name of 3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid (CID 91329504) is 3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid is CC1C(CCC(=O)O)CN(C)C(N(C)C)N1C.
What is the InChIKey of 3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid?
The InChIKey is ZRSPRNUUNDPQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9-10(6-7-11(16)17)8-14(4)12(13(2)3)15(9)5/h9-10,12H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid?
3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid has a molecular weight of 243.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-1,3,4-trimethyl-1,3-diazinan-5-yl]propanoic acid is sourced from PubChem (CID 91329504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).