carboxymethyl(methyl)azanium

C3H8NO2+ — CID 16755639

IUPACcarboxymethyl(methyl)azanium
SMILESC[NH2+]CC(=O)O
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/p+1
InChIKeyFSYKKLYZXJSNPZ-UHFFFAOYSA-O
MW90.10 g/mol
LogP-1.74
Rot. Bonds2

About carboxymethyl(methyl)azanium

carboxymethyl(methyl)azanium (PubChem CID 16755639) has the molecular formula C3H8NO2+ and a molecular weight of 90.10 g/mol. Its IUPAC name is carboxymethyl(methyl)azanium.

Molecular Properties

Compound Namecarboxymethyl(methyl)azanium
PubChem CID16755639
Molecular FormulaC3H8NO2+
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Namecarboxymethyl(methyl)azanium
SMILESC[NH2+]CC(=O)O
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/p+1
InChIKeyFSYKKLYZXJSNPZ-UHFFFAOYSA-O
XLogP-1.74
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carboxymethyl(methyl)azanium?
The IUPAC name of carboxymethyl(methyl)azanium (CID 16755639) is carboxymethyl(methyl)azanium.
What is the SMILES notation for carboxymethyl(methyl)azanium?
The canonical SMILES for carboxymethyl(methyl)azanium is C[NH2+]CC(=O)O.
What is the InChIKey of carboxymethyl(methyl)azanium?
The InChIKey is FSYKKLYZXJSNPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/p+1.
What are the key properties of carboxymethyl(methyl)azanium?
carboxymethyl(methyl)azanium has a molecular weight of 90.10 g/mol, XLogP of -1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl(methyl)azanium is sourced from PubChem (CID 16755639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).