carboxymethyl(prop-2-enyl)azanium

C5H10NO2+ — CID 134844890

IUPACcarboxymethyl(prop-2-enyl)azanium
SMILESC=CC[NH2+]CC(=O)O
InChIInChI=1S/C5H9NO2/c1-2-3-6-4-5(7)8/h2,6H,1,3-4H2,(H,7,8)/p+1
InChIKeyYVWGGGZYGSZDKW-UHFFFAOYSA-O
MW116.14 g/mol
LogP-1.18
Rot. Bonds4

About carboxymethyl(prop-2-enyl)azanium

carboxymethyl(prop-2-enyl)azanium (PubChem CID 134844890) has the molecular formula C5H10NO2+ and a molecular weight of 116.14 g/mol. Its IUPAC name is carboxymethyl(prop-2-enyl)azanium.

Molecular Properties

Compound Namecarboxymethyl(prop-2-enyl)azanium
PubChem CID134844890
Molecular FormulaC5H10NO2+
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Namecarboxymethyl(prop-2-enyl)azanium
SMILESC=CC[NH2+]CC(=O)O
InChIInChI=1S/C5H9NO2/c1-2-3-6-4-5(7)8/h2,6H,1,3-4H2,(H,7,8)/p+1
InChIKeyYVWGGGZYGSZDKW-UHFFFAOYSA-O
XLogP-1.18
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carboxymethyl(prop-2-enyl)azanium?
The IUPAC name of carboxymethyl(prop-2-enyl)azanium (CID 134844890) is carboxymethyl(prop-2-enyl)azanium.
What is the SMILES notation for carboxymethyl(prop-2-enyl)azanium?
The canonical SMILES for carboxymethyl(prop-2-enyl)azanium is C=CC[NH2+]CC(=O)O.
What is the InChIKey of carboxymethyl(prop-2-enyl)azanium?
The InChIKey is YVWGGGZYGSZDKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO2/c1-2-3-6-4-5(7)8/h2,6H,1,3-4H2,(H,7,8)/p+1.
What are the key properties of carboxymethyl(prop-2-enyl)azanium?
carboxymethyl(prop-2-enyl)azanium has a molecular weight of 116.14 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl(prop-2-enyl)azanium is sourced from PubChem (CID 134844890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).