azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate

C4H8N2O4 — CID 173330746

IUPACazane;(1-cyano-2-hydroxyethyl) hydrogen carbonate
SMILESN.N#CC(CO)OC(=O)O
InChIInChI=1S/C4H5NO4.H3N/c5-1-3(2-6)9-4(7)8;/h3,6H,2H2,(H,7,8);1H3
InChIKeyUAZGNBAGUYMLII-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.27
Rot. Bonds2

About azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate

azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate (PubChem CID 173330746) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate.

Molecular Properties

Compound Nameazane;(1-cyano-2-hydroxyethyl) hydrogen carbonate
PubChem CID173330746
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Nameazane;(1-cyano-2-hydroxyethyl) hydrogen carbonate
SMILESN.N#CC(CO)OC(=O)O
InChIInChI=1S/C4H5NO4.H3N/c5-1-3(2-6)9-4(7)8;/h3,6H,2H2,(H,7,8);1H3
InChIKeyUAZGNBAGUYMLII-UHFFFAOYSA-N
XLogP-0.27
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1-cyano-2-hydroxyethyl) 2,2-bis(sulfanyl)acetate
CID 88739377
(2R)-2-(1-cyanopropoxy)propanoic acid
CID 104875341
pent-1-yn-3-yl hydrogen carbonate
CID 89437565
1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate
CID 160712478
(1-cyano-2-methoxyethyl) carbamate
CID 154928164
azane;3-cyanopentanedioic acid
CID 175179409
[(1S)-1-cyano-3-methylbutyl] propanoate
CID 131848943
1-cyanopropyl 2-methylprop-2-enoate
CID 22596498
1-cyanobut-3-enyl acetate
CID 73018161
6-chlorohex-1-yn-3-yl hydrogen carbonate
CID 150923892
N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide
CID 66431654
[(1R)-4-bromo-1-cyanobutyl] acetate
CID 102294115

Frequently Asked Questions

What is the IUPAC name of azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate?
The IUPAC name of azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate (CID 173330746) is azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate.
What is the SMILES notation for azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate?
The canonical SMILES for azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate is N.N#CC(CO)OC(=O)O.
What is the InChIKey of azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate?
The InChIKey is UAZGNBAGUYMLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO4.H3N/c5-1-3(2-6)9-4(7)8;/h3,6H,2H2,(H,7,8);1H3.
What are the key properties of azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate?
azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate has a molecular weight of 148.12 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate is sourced from PubChem (CID 173330746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).