2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid

C14H18N2O2 — CID 130543589

IUPAC2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
SMILESO=C(O)CN1CC2CC1CN2Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14(18)10-16-9-12-6-13(16)8-15(12)7-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18)
InChIKeyCKDLSGLUVKWCKO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.03
Rot. Bonds4

About 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid

2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid (PubChem CID 130543589) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
PubChem CID130543589
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
SMILESO=C(O)CN1CC2CC1CN2Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14(18)10-16-9-12-6-13(16)8-15(12)7-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18)
InChIKeyCKDLSGLUVKWCKO-UHFFFAOYSA-N
XLogP1.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S)-2-benzyl-5-(dimethylphosphorylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 166403005
2-[(2S)-1-benzylazetidin-2-yl]acetic acid
CID 118703240
2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine
CID 130543512
2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 126809494
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)acetic acid
CID 119137919
(1S,4S)-5-[(4-formylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 175163683
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(1-butylpiperidin-4-yl)methanone
CID 21135945
2-benzyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 175649956
(1S,4S)-2-benzyl-5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 126829182
phenyl (4S)-5-[(3-phenylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 130377843
N-[2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 16639287

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid?
The IUPAC name of 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid (CID 130543589) is 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid.
What is the SMILES notation for 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid?
The canonical SMILES for 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid is O=C(O)CN1CC2CC1CN2Cc1ccccc1.
What is the InChIKey of 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid?
The InChIKey is CKDLSGLUVKWCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(18)10-16-9-12-6-13(16)8-15(12)7-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18).
What are the key properties of 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid?
2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid has a molecular weight of 246.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid is sourced from PubChem (CID 130543589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).