carboxymethyl-formyl-dimethylazanium

C5H10NO3+ — CID 22397340

IUPACcarboxymethyl-formyl-dimethylazanium
SMILESC[N+](C)(C=O)CC(=O)O
InChIInChI=1S/C5H9NO3/c1-6(2,4-7)3-5(8)9/h4H,3H2,1-2H3/p+1
InChIKeyBNQGUZFOBRNARX-UHFFFAOYSA-O
MW132.14 g/mol
LogP-0.70
Rot. Bonds3

About carboxymethyl-formyl-dimethylazanium

carboxymethyl-formyl-dimethylazanium (PubChem CID 22397340) has the molecular formula C5H10NO3+ and a molecular weight of 132.14 g/mol. Its IUPAC name is carboxymethyl-formyl-dimethylazanium.

Molecular Properties

Compound Namecarboxymethyl-formyl-dimethylazanium
PubChem CID22397340
Molecular FormulaC5H10NO3+
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Namecarboxymethyl-formyl-dimethylazanium
SMILESC[N+](C)(C=O)CC(=O)O
InChIInChI=1S/C5H9NO3/c1-6(2,4-7)3-5(8)9/h4H,3H2,1-2H3/p+1
InChIKeyBNQGUZFOBRNARX-UHFFFAOYSA-O
XLogP-0.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylglycine
CID 673
N,N,N-trimethylglycinium
CID 248
(Diethylamino)(oxo)acetic acid
CID 4180752
N-Acetyl-N-methylglycine
CID 10975514
2-[(Methoxycarbonyl)(methyl)amino]acetic acid
CID 14346035
Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide
CID 83815
Hydroxymethylsarcosine
CID 85125
N-formyliminodiacetic acid
CID 191974
N-formylsarcosine
CID 11789184
Glycine, N-formyl-N-methyl-, methyl ester
CID 111692
N-acetyliminodiacetic acid
CID 10130190
Diacetylglycine
CID 14926475

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-formyl-dimethylazanium?
The IUPAC name of carboxymethyl-formyl-dimethylazanium (CID 22397340) is carboxymethyl-formyl-dimethylazanium.
What is the SMILES notation for carboxymethyl-formyl-dimethylazanium?
The canonical SMILES for carboxymethyl-formyl-dimethylazanium is C[N+](C)(C=O)CC(=O)O.
What is the InChIKey of carboxymethyl-formyl-dimethylazanium?
The InChIKey is BNQGUZFOBRNARX-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO3/c1-6(2,4-7)3-5(8)9/h4H,3H2,1-2H3/p+1.
What are the key properties of carboxymethyl-formyl-dimethylazanium?
carboxymethyl-formyl-dimethylazanium has a molecular weight of 132.14 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-formyl-dimethylazanium is sourced from PubChem (CID 22397340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).