1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid

C14H22N2O3 — CID 114425408

IUPAC1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CC3CCC2C3)C(C(=O)O)C1
InChIInChI=1S/C14H22N2O3/c1-9-4-5-15(12(6-9)13(17)18)14(19)16-8-10-2-3-11(16)7-10/h9-12H,2-8H2,1H3,(H,17,18)
InChIKeyPTDFIURYGNTFGE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.78
Rot. Bonds1

About 1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid

1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425408) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114425408
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CC3CCC2C3)C(C(=O)O)C1
InChIInChI=1S/C14H22N2O3/c1-9-4-5-15(12(6-9)13(17)18)14(19)16-8-10-2-3-11(16)7-10/h9-12H,2-8H2,1H3,(H,17,18)
InChIKeyPTDFIURYGNTFGE-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425542
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
(4R)-3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 54981229
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidine-2-carboxylic acid
CID 114425695
4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425581
1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425231
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425340
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107438360
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425473
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430350

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid (CID 114425408) is 1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)N2CC3CCC2C3)C(C(=O)O)C1.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is PTDFIURYGNTFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-4-5-15(12(6-9)13(17)18)14(19)16-8-10-2-3-11(16)7-10/h9-12H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid?
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).