2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid

C17H23N3O3 — CID 131654464

IUPAC2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCN(Cc1ccccn1)C(=O)C1C2CCC1CN(CC(=O)O)C2
InChIInChI=1S/C17H23N3O3/c1-19(10-14-4-2-3-7-18-14)17(23)16-12-5-6-13(16)9-20(8-12)11-15(21)22/h2-4,7,12-13,16H,5-6,8-11H2,1H3,(H,21,22)
InChIKeyCDXGZTGLWDUDAY-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.08
Rot. Bonds5

About 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 131654464) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID131654464
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCN(Cc1ccccn1)C(=O)C1C2CCC1CN(CC(=O)O)C2
InChIInChI=1S/C17H23N3O3/c1-19(10-14-4-2-3-7-18-14)17(23)16-12-5-6-13(16)9-20(8-12)11-15(21)22/h2-4,7,12-13,16H,5-6,8-11H2,1H3,(H,21,22)
InChIKeyCDXGZTGLWDUDAY-UHFFFAOYSA-N
XLogP1.08
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 86824162
3-methyl-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781852
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
(3aR,6aS)-N,N-dimethyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97376937
4-methoxy-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201169
N-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565255
4-hydroxy-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61203228
(2R,3aS,7aS)-6-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155877537
5-benzoyl-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134074281
2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596

Frequently Asked Questions

What is the IUPAC name of 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 131654464) is 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid is CN(Cc1ccccn1)C(=O)C1C2CCC1CN(CC(=O)O)C2.
What is the InChIKey of 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is CDXGZTGLWDUDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19(10-14-4-2-3-7-18-14)17(23)16-12-5-6-13(16)9-20(8-12)11-15(21)22/h2-4,7,12-13,16H,5-6,8-11H2,1H3,(H,21,22).
What are the key properties of 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 317.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 131654464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).