2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid

C7H10N2O3 — CID 151351396

IUPAC2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)N2CCC1C2
InChIInChI=1S/C7H10N2O3/c10-6(11)4-9-5-1-2-8(3-5)7(9)12/h5H,1-4H2,(H,10,11)
InChIKeyOMOGGPWJRKUXIA-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.42
Rot. Bonds2

About 2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid

2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid (PubChem CID 151351396) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid
PubChem CID151351396
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)N2CCC1C2
InChIInChI=1S/C7H10N2O3/c10-6(11)4-9-5-1-2-8(3-5)7(9)12/h5H,1-4H2,(H,10,11)
InChIKeyOMOGGPWJRKUXIA-UHFFFAOYSA-N
XLogP-0.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid (CID 151351396) is 2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid is O=C(O)CN1C(=O)N2CCC1C2.
What is the InChIKey of 2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid?
The InChIKey is OMOGGPWJRKUXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-6(11)4-9-5-1-2-8(3-5)7(9)12/h5H,1-4H2,(H,10,11).
What are the key properties of 2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid?
2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid has a molecular weight of 170.17 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-diazabicyclo[2.2.1]heptan-3-yl)acetic acid is sourced from PubChem (CID 151351396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).