[(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium

C4H12N2O2+2 — CID 59088209

IUPAC[(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium
SMILES[NH3+]C[C@H]([NH3+])CC(=O)O
InChIInChI=1S/C4H10N2O2/c5-2-3(6)1-4(7)8/h3H,1-2,5-6H2,(H,7,8)/p+2/t3-/m1/s1
InChIKeyXQKAYTBBWLDCBB-GSVOUGTGSA-P
MW120.15 g/mol
LogP-2.69
Rot. Bonds3

About [(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium

[(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium (PubChem CID 59088209) has the molecular formula C4H12N2O2+2 and a molecular weight of 120.15 g/mol. Its IUPAC name is [(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium
PubChem CID59088209
Molecular FormulaC4H12N2O2+2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name[(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium
SMILES[NH3+]C[C@H]([NH3+])CC(=O)O
InChIInChI=1S/C4H10N2O2/c5-2-3(6)1-4(7)8/h3H,1-2,5-6H2,(H,7,8)/p+2/t3-/m1/s1
InChIKeyXQKAYTBBWLDCBB-GSVOUGTGSA-P
XLogP-2.69
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-2.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-2-azaniumyl-1-carboxyethyl]azanium
CID 102469878
2-iodobutanedioic acid
CID 21453258
azane;3,4-bis(carboxymethyl)hexanedioic acid
CID 155142229
2-(1-azaniumyl-2-carboxyethyl)-3,4-dioxocyclobuten-1-olate
CID 177436620
CID 59102127
CID 59102127
CID 59102159
CID 59102159
3-methylbutanoic acid
CID 20849036
[(1S)-1,3-dicarboxypropyl]azanium
CID 5147171
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
carboxymethylazanium;tetrakis(oxygen(2-));rhenium
CID 139075871
zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate)
CID 173017583

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium?
The IUPAC name of [(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium (CID 59088209) is [(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium?
The canonical SMILES for [(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium is [NH3+]C[C@H]([NH3+])CC(=O)O.
What is the InChIKey of [(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium?
The InChIKey is XQKAYTBBWLDCBB-GSVOUGTGSA-P. The full InChI is InChI=1S/C4H10N2O2/c5-2-3(6)1-4(7)8/h3H,1-2,5-6H2,(H,7,8)/p+2/t3-/m1/s1.
What are the key properties of [(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium?
[(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium has a molecular weight of 120.15 g/mol, XLogP of -2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium is sourced from PubChem (CID 59088209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).