5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid

C14H28N2O3 — CID 62933573

IUPAC5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCN(CCN(C)C)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H28N2O3/c1-6-7-16(9-8-15(4)5)12(17)10-14(2,3)11-13(18)19/h6-11H2,1-5H3,(H,18,19)
InChIKeyFRQLHALGOMFBDG-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.68
Rot. Bonds9

About 5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62933573) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62933573
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCN(CCN(C)C)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H28N2O3/c1-6-7-16(9-8-15(4)5)12(17)10-14(2,3)11-13(18)19/h6-11H2,1-5H3,(H,18,19)
InChIKeyFRQLHALGOMFBDG-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 62933573) is 5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid is CCCN(CCN(C)C)C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is FRQLHALGOMFBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-7-16(9-8-15(4)5)12(17)10-14(2,3)11-13(18)19/h6-11H2,1-5H3,(H,18,19).
What are the key properties of 5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62933573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).