[carboxyoxy(methyl)amino] hydrogen carbonate

C3H5NO6 — CID 23295715

IUPAC[carboxyoxy(methyl)amino] hydrogen carbonate
SMILESCN(OC(=O)O)OC(=O)O
InChIInChI=1S/C3H5NO6/c1-4(9-2(5)6)10-3(7)8/h1H3,(H,5,6)(H,7,8)
InChIKeyRYOWBIPZSAWNGV-UHFFFAOYSA-N
MW151.07 g/mol
LogP0.14
Rot. Bonds2

About [carboxyoxy(methyl)amino] hydrogen carbonate

[carboxyoxy(methyl)amino] hydrogen carbonate (PubChem CID 23295715) has the molecular formula C3H5NO6 and a molecular weight of 151.07 g/mol. Its IUPAC name is [carboxyoxy(methyl)amino] hydrogen carbonate.

Molecular Properties

Compound Name[carboxyoxy(methyl)amino] hydrogen carbonate
PubChem CID23295715
Molecular FormulaC3H5NO6
Molecular Weight151.07 g/mol
Exact Mass151.01
IUPAC Name[carboxyoxy(methyl)amino] hydrogen carbonate
SMILESCN(OC(=O)O)OC(=O)O
InChIInChI=1S/C3H5NO6/c1-4(9-2(5)6)10-3(7)8/h1H3,(H,5,6)(H,7,8)
InChIKeyRYOWBIPZSAWNGV-UHFFFAOYSA-N
XLogP0.14
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.07
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[methyl(propanoyloxy)amino] propanoate
CID 90871016
[bis(1-hydroxyethyl)amino] hydrogen carbonate
CID 57058437
[amino(ethyl)amino] hydrogen carbonate
CID 174793362
bis(dimethylamino) carbonate
CID 87610786
methoxysulfanyl(methyl)carbamic acid
CID 56630167
acetic acid;ruthenium
CID 175502908
carbamic acid;N,N-dimethylmethanamine
CID 173358065
dimethylcarbamic acid;ethane
CID 143338074
dimethylcarbamic acid;nickel
CID 87135907
carbonic acid;methyl hydrogen carbonate
CID 175554276
carbonic acid;ruthenium
CID 87059075
iodo(methyl)carbamic acid
CID 88640378

Frequently Asked Questions

What is the IUPAC name of [carboxyoxy(methyl)amino] hydrogen carbonate?
The IUPAC name of [carboxyoxy(methyl)amino] hydrogen carbonate (CID 23295715) is [carboxyoxy(methyl)amino] hydrogen carbonate.
What is the SMILES notation for [carboxyoxy(methyl)amino] hydrogen carbonate?
The canonical SMILES for [carboxyoxy(methyl)amino] hydrogen carbonate is CN(OC(=O)O)OC(=O)O.
What is the InChIKey of [carboxyoxy(methyl)amino] hydrogen carbonate?
The InChIKey is RYOWBIPZSAWNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO6/c1-4(9-2(5)6)10-3(7)8/h1H3,(H,5,6)(H,7,8).
What are the key properties of [carboxyoxy(methyl)amino] hydrogen carbonate?
[carboxyoxy(methyl)amino] hydrogen carbonate has a molecular weight of 151.07 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [carboxyoxy(methyl)amino] hydrogen carbonate is sourced from PubChem (CID 23295715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).