5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid

C11H22N2O3 — CID 62966305

IUPAC5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC(C)N(C)C
InChIInChI=1S/C11H22N2O3/c1-8(6-11(15)16)5-10(14)12-7-9(2)13(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyQJCPKNZSSMUWPC-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.55
Rot. Bonds7

About 5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid

5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 62966305) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
PubChem CID62966305
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC(C)N(C)C
InChIInChI=1S/C11H22N2O3/c1-8(6-11(15)16)5-10(14)12-7-9(2)13(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyQJCPKNZSSMUWPC-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 79548215
5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 62965063
5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
CID 62963822
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid
CID 62963726
2-bromo-N-[2-(dimethylamino)propyl]acetamide
CID 63679918
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966422
5-(cyanomethylamino)-3-methyl-5-oxopentanoic acid
CID 62965259
4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
CID 81073006
3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 113408932

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid (CID 62966305) is 5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCC(C)N(C)C.
What is the InChIKey of 5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is QJCPKNZSSMUWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(6-11(15)16)5-10(14)12-7-9(2)13(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,15,16).
What are the key properties of 5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid?
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62966305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).