4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid

C16H32N2O3 — CID 107394689

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCOC1(C)CCCN(C(C)CC(C)(NC(C)C)C(=O)O)C1
InChIInChI=1S/C16H32N2O3/c1-12(2)17-16(5,14(19)20)10-13(3)18-9-7-8-15(4,11-18)21-6/h12-13,17H,7-11H2,1-6H3,(H,19,20)
InChIKeyCJBAEFWXTVFLPW-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.11
Rot. Bonds7

About 4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid

4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 107394689) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID107394689
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCOC1(C)CCCN(C(C)CC(C)(NC(C)C)C(=O)O)C1
InChIInChI=1S/C16H32N2O3/c1-12(2)17-16(5,14(19)20)10-13(3)18-9-7-8-15(4,11-18)21-6/h12-13,17H,7-11H2,1-6H3,(H,19,20)
InChIKeyCJBAEFWXTVFLPW-UHFFFAOYSA-N
XLogP2.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 107394689) is 4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid is COC1(C)CCCN(C(C)CC(C)(NC(C)C)C(=O)O)C1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is CJBAEFWXTVFLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(2)17-16(5,14(19)20)10-13(3)18-9-7-8-15(4,11-18)21-6/h12-13,17H,7-11H2,1-6H3,(H,19,20).
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 300.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 107394689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).