[(1R)-2-azaniumyl-1-carboxyethyl]azanium

C3H10N2O2+2 — CID 102469878

IUPAC[(1R)-2-azaniumyl-1-carboxyethyl]azanium
SMILES[NH3+]C[C@@H]([NH3+])C(=O)O
InChIInChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/p+2/t2-/m1/s1
InChIKeyPECYZEOJVXMISF-UWTATZPHSA-P
MW106.12 g/mol
LogP-3.08
Rot. Bonds2

About [(1R)-2-azaniumyl-1-carboxyethyl]azanium

[(1R)-2-azaniumyl-1-carboxyethyl]azanium (PubChem CID 102469878) has the molecular formula C3H10N2O2+2 and a molecular weight of 106.12 g/mol. Its IUPAC name is [(1R)-2-azaniumyl-1-carboxyethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-azaniumyl-1-carboxyethyl]azanium
PubChem CID102469878
Molecular FormulaC3H10N2O2+2
Molecular Weight106.12 g/mol
Exact Mass106.07
IUPAC Name[(1R)-2-azaniumyl-1-carboxyethyl]azanium
SMILES[NH3+]C[C@@H]([NH3+])C(=O)O
InChIInChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/p+2/t2-/m1/s1
InChIKeyPECYZEOJVXMISF-UWTATZPHSA-P
XLogP-3.08
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-3.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-azaniumyl-1-carboxyethyl]azanium?
The IUPAC name of [(1R)-2-azaniumyl-1-carboxyethyl]azanium (CID 102469878) is [(1R)-2-azaniumyl-1-carboxyethyl]azanium.
What is the SMILES notation for [(1R)-2-azaniumyl-1-carboxyethyl]azanium?
The canonical SMILES for [(1R)-2-azaniumyl-1-carboxyethyl]azanium is [NH3+]C[C@@H]([NH3+])C(=O)O.
What is the InChIKey of [(1R)-2-azaniumyl-1-carboxyethyl]azanium?
The InChIKey is PECYZEOJVXMISF-UWTATZPHSA-P. The full InChI is InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/p+2/t2-/m1/s1.
What are the key properties of [(1R)-2-azaniumyl-1-carboxyethyl]azanium?
[(1R)-2-azaniumyl-1-carboxyethyl]azanium has a molecular weight of 106.12 g/mol, XLogP of -3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-azaniumyl-1-carboxyethyl]azanium is sourced from PubChem (CID 102469878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).