[(2S)-1-amino-1-oxopropan-2-yl]azanium

C3H9N2O+ — CID 7000173

IUPAC[(2S)-1-amino-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH3+])C(N)=O
InChIInChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/p+1/t2-/m0/s1
InChIKeyHQMLIDZJXVVKCW-REOHCLBHSA-O
MW89.12 g/mol
LogP-1.90
Rot. Bonds1

About [(2S)-1-amino-1-oxopropan-2-yl]azanium

[(2S)-1-amino-1-oxopropan-2-yl]azanium (PubChem CID 7000173) has the molecular formula C3H9N2O+ and a molecular weight of 89.12 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl]azanium
PubChem CID7000173
Molecular FormulaC3H9N2O+
Molecular Weight89.12 g/mol
Exact Mass89.07
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH3+])C(N)=O
InChIInChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/p+1/t2-/m0/s1
InChIKeyHQMLIDZJXVVKCW-REOHCLBHSA-O
XLogP-1.90
TPSA70.73 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.12
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl]azanium (CID 7000173) is [(2S)-1-amino-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl]azanium is C[C@H]([NH3+])C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl]azanium?
The InChIKey is HQMLIDZJXVVKCW-REOHCLBHSA-O. The full InChI is InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/p+1/t2-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl]azanium?
[(2S)-1-amino-1-oxopropan-2-yl]azanium has a molecular weight of 89.12 g/mol, XLogP of -1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7000173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).