acetamidomethyl-(carboxymethyl)-dimethylazanium

C7H15N2O3+ — CID 20646288

IUPACacetamidomethyl-(carboxymethyl)-dimethylazanium
SMILESCC(=O)NC[N+](C)(C)CC(=O)O
InChIInChI=1S/C7H14N2O3/c1-6(10)8-5-9(2,3)4-7(11)12/h4-5H2,1-3H3,(H-,8,10,11,12)/p+1
InChIKeyOCSMLLRXQQFYFX-UHFFFAOYSA-O
MW175.21 g/mol
LogP-0.76
Rot. Bonds4

About acetamidomethyl-(carboxymethyl)-dimethylazanium

acetamidomethyl-(carboxymethyl)-dimethylazanium (PubChem CID 20646288) has the molecular formula C7H15N2O3+ and a molecular weight of 175.21 g/mol. Its IUPAC name is acetamidomethyl-(carboxymethyl)-dimethylazanium.

Molecular Properties

Compound Nameacetamidomethyl-(carboxymethyl)-dimethylazanium
PubChem CID20646288
Molecular FormulaC7H15N2O3+
Molecular Weight175.21 g/mol
Exact Mass175.11
IUPAC Nameacetamidomethyl-(carboxymethyl)-dimethylazanium
SMILESCC(=O)NC[N+](C)(C)CC(=O)O
InChIInChI=1S/C7H14N2O3/c1-6(10)8-5-9(2,3)4-7(11)12/h4-5H2,1-3H3,(H-,8,10,11,12)/p+1
InChIKeyOCSMLLRXQQFYFX-UHFFFAOYSA-O
XLogP-0.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetamidomethyl-(carboxymethyl)-dimethylazanium?
The IUPAC name of acetamidomethyl-(carboxymethyl)-dimethylazanium (CID 20646288) is acetamidomethyl-(carboxymethyl)-dimethylazanium.
What is the SMILES notation for acetamidomethyl-(carboxymethyl)-dimethylazanium?
The canonical SMILES for acetamidomethyl-(carboxymethyl)-dimethylazanium is CC(=O)NC[N+](C)(C)CC(=O)O.
What is the InChIKey of acetamidomethyl-(carboxymethyl)-dimethylazanium?
The InChIKey is OCSMLLRXQQFYFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O3/c1-6(10)8-5-9(2,3)4-7(11)12/h4-5H2,1-3H3,(H-,8,10,11,12)/p+1.
What are the key properties of acetamidomethyl-(carboxymethyl)-dimethylazanium?
acetamidomethyl-(carboxymethyl)-dimethylazanium has a molecular weight of 175.21 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamidomethyl-(carboxymethyl)-dimethylazanium is sourced from PubChem (CID 20646288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).