2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C13H21N3O4 — CID 79605925

IUPAC2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC(=O)NNC(=O)CN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C13H21N3O4/c1-8(17)14-15-12(18)7-16-10-2-3-11(16)5-9(4-10)6-13(19)20/h9-11H,2-7H2,1H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyNGIDHWKRHFPYPY-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.13
Rot. Bonds4

About 2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79605925) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79605925
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC(=O)NNC(=O)CN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C13H21N3O4/c1-8(17)14-15-12(18)7-16-10-2-3-11(16)5-9(4-10)6-13(19)20/h9-11H,2-7H2,1H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyNGIDHWKRHFPYPY-UHFFFAOYSA-N
XLogP-0.13
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[8-[2-oxo-2-(prop-2-ynylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606579
2-[8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 106439304
2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606577
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114473215
2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605804
2-[8-(4-hydroxybutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606159
2-[8-(tert-butylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608579
2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606219
2-(3-acetamidocyclobutyl)acetic acid
CID 154928575
2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 106191293
2-[8-(2-aminopentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609229

Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79605925) is 2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CC(=O)NNC(=O)CN1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is NGIDHWKRHFPYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-8(17)14-15-12(18)7-16-10-2-3-11(16)5-9(4-10)6-13(19)20/h9-11H,2-7H2,1H3,(H,14,17)(H,15,18)(H,19,20).
What are the key properties of 2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 283.33 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79605925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).