2-[carbamoyl(dimethyl)azaniumyl]acetate

C5H10N2O3 — CID 87750916

IUPAC2-[carbamoyl(dimethyl)azaniumyl]acetate
SMILESC[N+](C)(CC(=O)[O-])C(N)=O
InChIInChI=1S/C5H10N2O3/c1-7(2,5(6)10)3-4(8)9/h3H2,1-2H3,(H2-,6,8,9,10)
InChIKeyCFEUORQCMXZJPN-UHFFFAOYSA-N
MW146.15 g/mol
LogP-2.11
Rot. Bonds2

About 2-[carbamoyl(dimethyl)azaniumyl]acetate

2-[carbamoyl(dimethyl)azaniumyl]acetate (PubChem CID 87750916) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-[carbamoyl(dimethyl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[carbamoyl(dimethyl)azaniumyl]acetate
PubChem CID87750916
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-[carbamoyl(dimethyl)azaniumyl]acetate
SMILESC[N+](C)(CC(=O)[O-])C(N)=O
InChIInChI=1S/C5H10N2O3/c1-7(2,5(6)10)3-4(8)9/h3H2,1-2H3,(H2-,6,8,9,10)
InChIKeyCFEUORQCMXZJPN-UHFFFAOYSA-N
XLogP-2.11
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-2.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[tri((113C)methyl)azaniumyl]acetate
CID 171379439
azane;2-(trimethylazaniumyl)acetate
CID 19995695
sulfanium 2-(trimethylazaniumyl)acetate
CID 22046245
CID 135390032
CID 135390032
2-[(diaminomethylideneamino)methyl-dimethylazaniumyl]acetate
CID 172817724
2,2-bis(hydroxymethyl)propane-1,3-diol;2-(trimethylazaniumyl)acetate
CID 19431176
butane;2-(trimethylazaniumyl)acetate
CID 129220851
formonitrile;2-(trimethylazaniumyl)acetate
CID 173415938
dimethylazanium;2-(trimethylazaniumyl)acetate
CID 22558275
1-amino-N,N-dimethyl-1-oxomethanamine oxide
CID 150196587
2-amino-2-methylpropanoic acid;2-(trimethylazaniumyl)acetate
CID 155168121
disodium;guanidine;diacetate
CID 172858856

Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(dimethyl)azaniumyl]acetate?
The IUPAC name of 2-[carbamoyl(dimethyl)azaniumyl]acetate (CID 87750916) is 2-[carbamoyl(dimethyl)azaniumyl]acetate.
What is the SMILES notation for 2-[carbamoyl(dimethyl)azaniumyl]acetate?
The canonical SMILES for 2-[carbamoyl(dimethyl)azaniumyl]acetate is C[N+](C)(CC(=O)[O-])C(N)=O.
What is the InChIKey of 2-[carbamoyl(dimethyl)azaniumyl]acetate?
The InChIKey is CFEUORQCMXZJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-7(2,5(6)10)3-4(8)9/h3H2,1-2H3,(H2-,6,8,9,10).
What are the key properties of 2-[carbamoyl(dimethyl)azaniumyl]acetate?
2-[carbamoyl(dimethyl)azaniumyl]acetate has a molecular weight of 146.15 g/mol, XLogP of -2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(dimethyl)azaniumyl]acetate is sourced from PubChem (CID 87750916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).