5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid

C10H20N2O2 — CID 83916104

IUPAC5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid
SMILESCC1NCC(CN(C)C)CC1C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7-9(10(13)14)4-8(5-11-7)6-12(2)3/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeyUTSOJVWJVJJVBX-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.25
Rot. Bonds3

About 5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid

5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 83916104) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID83916104
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid
SMILESCC1NCC(CN(C)C)CC1C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7-9(10(13)14)4-8(5-11-7)6-12(2)3/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeyUTSOJVWJVJJVBX-UHFFFAOYSA-N
XLogP0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of 5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid (CID 83916104) is 5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid is CC1NCC(CN(C)C)CC1C(=O)O.
What is the InChIKey of 5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is UTSOJVWJVJJVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-9(10(13)14)4-8(5-11-7)6-12(2)3/h7-9,11H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid?
5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83916104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).