3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid

C15H28N2O3 — CID 62934088

IUPAC3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid
SMILESCC1CCN(CCNC(=O)CC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12-4-7-17(8-5-12)9-6-16-13(18)10-15(2,3)11-14(19)20/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyKRFURLWUUKYDHR-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.73
Rot. Bonds7

About 3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid

3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 62934088) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid
PubChem CID62934088
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid
SMILESCC1CCN(CCNC(=O)CC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12-4-7-17(8-5-12)9-6-16-13(18)10-15(2,3)11-14(19)20/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyKRFURLWUUKYDHR-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid (CID 62934088) is 3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid is CC1CCN(CCNC(=O)CC(C)(C)CC(=O)O)CC1.
What is the InChIKey of 3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is KRFURLWUUKYDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-4-7-17(8-5-12)9-6-16-13(18)10-15(2,3)11-14(19)20/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid?
3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 62934088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).