3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid

C11H20N2O4 — CID 119233192

IUPAC3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
SMILESCN(C)C(=O)CCCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-12(2)9(14)5-4-6-10(15)13(3)8-7-11(16)17/h4-8H2,1-3H3,(H,16,17)
InChIKeyMXYMBAQQJCVQQZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.18
Rot. Bonds7

About 3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid

3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid (PubChem CID 119233192) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
PubChem CID119233192
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
SMILESCN(C)C(=O)CCCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-12(2)9(14)5-4-6-10(15)13(3)8-7-11(16)17/h4-8H2,1-3H3,(H,16,17)
InChIKeyMXYMBAQQJCVQQZ-UHFFFAOYSA-N
XLogP0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
CID 88685642
CID 88685642
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 60891554
3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60989976
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
CID 156569276
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
3-[4-(4-chlorophenyl)butanoyl-methylamino]propanoic acid
CID 82224338
methyl 5-(dimethylamino)-5-oxopentanoate
CID 11615262

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid (CID 119233192) is 3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid is CN(C)C(=O)CCCC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid?
The InChIKey is MXYMBAQQJCVQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-12(2)9(14)5-4-6-10(15)13(3)8-7-11(16)17/h4-8H2,1-3H3,(H,16,17).
What are the key properties of 3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid?
3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid is sourced from PubChem (CID 119233192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).