carboxymethyl(methanidyl)azanium

C3H7NO2 — CID 123768190

IUPACcarboxymethyl(methanidyl)azanium
SMILES[CH2-][NH2+]CC(=O)O
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h1-2,4H2,(H,5,6)
InChIKeyCZPOPVVPYYPSIX-UHFFFAOYSA-N
MW89.09 g/mol
LogP-1.57
Rot. Bonds2

About carboxymethyl(methanidyl)azanium

carboxymethyl(methanidyl)azanium (PubChem CID 123768190) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is carboxymethyl(methanidyl)azanium.

Molecular Properties

Compound Namecarboxymethyl(methanidyl)azanium
PubChem CID123768190
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Namecarboxymethyl(methanidyl)azanium
SMILES[CH2-][NH2+]CC(=O)O
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h1-2,4H2,(H,5,6)
InChIKeyCZPOPVVPYYPSIX-UHFFFAOYSA-N
XLogP-1.57
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Sarcosine
CID 1088
Iminodiacetic acid
CID 8897
(Methylazaniumyl)acetate
CID 7311726
Formylglycine
CID 75606
Sodium Sarcosinate
CID 23667259
Sarcosinate
CID 9543102
N-Ethylglycine
CID 316542
Sodium (hydroxymethyl)glycinate
CID 23664641
Glycine, N-methyl-, hydrochloride (1:1)
CID 69483
Iminodiacetate
CID 3344189
((Carboxymethyl)amino)acetate
CID 6995749
Ammoniodiacetate
CID 3614581

Frequently Asked Questions

What is the IUPAC name of carboxymethyl(methanidyl)azanium?
The IUPAC name of carboxymethyl(methanidyl)azanium (CID 123768190) is carboxymethyl(methanidyl)azanium.
What is the SMILES notation for carboxymethyl(methanidyl)azanium?
The canonical SMILES for carboxymethyl(methanidyl)azanium is [CH2-][NH2+]CC(=O)O.
What is the InChIKey of carboxymethyl(methanidyl)azanium?
The InChIKey is CZPOPVVPYYPSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2/c1-4-2-3(5)6/h1-2,4H2,(H,5,6).
What are the key properties of carboxymethyl(methanidyl)azanium?
carboxymethyl(methanidyl)azanium has a molecular weight of 89.09 g/mol, XLogP of -1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl(methanidyl)azanium is sourced from PubChem (CID 123768190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).