5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid

C16H32N2O3 — CID 106588666

IUPAC5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCN1CCCC(COC)C1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-9-17-16(2,15(19)20)8-6-11-18-10-5-7-14(12-18)13-21-3/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeySWJXAKBPFRNTLH-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.97
Rot. Bonds10

About 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid

5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 106588666) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
PubChem CID106588666
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCN1CCCC(COC)C1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-9-17-16(2,15(19)20)8-6-11-18-10-5-7-14(12-18)13-21-3/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeySWJXAKBPFRNTLH-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
CID 106588668
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 63635242
4-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 106588596
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
2-methyl-5-(1,4-oxazepan-4-yl)-2-(propylamino)pentanoic acid
CID 62973505
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 64599701
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid
CID 106589084
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
4-[3-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 106589698

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid (CID 106588666) is 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CCCN1CCCC(COC)C1)C(=O)O.
What is the InChIKey of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is SWJXAKBPFRNTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-9-17-16(2,15(19)20)8-6-11-18-10-5-7-14(12-18)13-21-3/h14,17H,4-13H2,1-3H3,(H,19,20).
What are the key properties of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid?
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 300.44 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 106588666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).