1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid

C11H20N2O3 — CID 106741697

IUPAC1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)CN(C)C
InChIInChI=1S/C11H20N2O3/c1-8-6-9(11(15)16)4-5-13(8)10(14)7-12(2)3/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyLJVAXTREDOVRLH-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.26
Rot. Bonds3

About 1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid

1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741697) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106741697
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)CN(C)C
InChIInChI=1S/C11H20N2O3/c1-8-6-9(11(15)16)4-5-13(8)10(14)7-12(2)3/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyLJVAXTREDOVRLH-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-2-methylpiperidine-4-carboxylic acid
CID 106741752
2-methyl-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid
CID 106742221
1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742115
1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106743882
1-[2-(dimethylamino)acetyl]piperidine-2-carboxylic acid
CID 79018258
1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744036
1-(2,2-difluoroacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742109
1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743942
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 106742049
1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744091
2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid
CID 106743021

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid (CID 106741697) is 1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)CN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is LJVAXTREDOVRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-6-9(11(15)16)4-5-13(8)10(14)7-12(2)3/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid?
1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).