2-hydroxyacetaldehyde;hydroxymethyl carbamate

C4H9NO5 — CID 159302817

IUPAC2-hydroxyacetaldehyde;hydroxymethyl carbamate
SMILESNC(=O)OCO.O=CCO
InChIInChI=1S/C2H5NO3.C2H4O2/c3-2(5)6-1-4;3-1-2-4/h4H,1H2,(H2,3,5);1,4H,2H2
InChIKeyLBNWQMYFARJHDM-UHFFFAOYSA-N
MW151.12 g/mol
LogP-1.79
Rot. Bonds2

About 2-hydroxyacetaldehyde;hydroxymethyl carbamate

2-hydroxyacetaldehyde;hydroxymethyl carbamate (PubChem CID 159302817) has the molecular formula C4H9NO5 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-hydroxyacetaldehyde;hydroxymethyl carbamate.

Molecular Properties

Compound Name2-hydroxyacetaldehyde;hydroxymethyl carbamate
PubChem CID159302817
Molecular FormulaC4H9NO5
Molecular Weight151.12 g/mol
Exact Mass151.05
IUPAC Name2-hydroxyacetaldehyde;hydroxymethyl carbamate
SMILESNC(=O)OCO.O=CCO
InChIInChI=1S/C2H5NO3.C2H4O2/c3-2(5)6-1-4;3-1-2-4/h4H,1H2,(H2,3,5);1,4H,2H2
InChIKeyLBNWQMYFARJHDM-UHFFFAOYSA-N
XLogP-1.79
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyacetaldehyde
CID 121494061
disodium;hydride;2-hydroxyacetaldehyde;hydrate
CID 174950946
acetaldehyde;ethyl carbamate
CID 23340289
2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate
CID 89498501
hydroxymethyl 2-(diaminomethylideneamino)acetate
CID 174312197
bis(hydroxymethyl) hexanedioate
CID 22892542
bis(hydroxymethyl) pentanedioate
CID 56975769
2-sulfanylideneethyl carbamate
CID 19797136
[2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate
CID 23571865
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetaldehyde;hydroxymethyl carbamate?
The IUPAC name of 2-hydroxyacetaldehyde;hydroxymethyl carbamate (CID 159302817) is 2-hydroxyacetaldehyde;hydroxymethyl carbamate.
What is the SMILES notation for 2-hydroxyacetaldehyde;hydroxymethyl carbamate?
The canonical SMILES for 2-hydroxyacetaldehyde;hydroxymethyl carbamate is NC(=O)OCO.O=CCO.
What is the InChIKey of 2-hydroxyacetaldehyde;hydroxymethyl carbamate?
The InChIKey is LBNWQMYFARJHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3.C2H4O2/c3-2(5)6-1-4;3-1-2-4/h4H,1H2,(H2,3,5);1,4H,2H2.
What are the key properties of 2-hydroxyacetaldehyde;hydroxymethyl carbamate?
2-hydroxyacetaldehyde;hydroxymethyl carbamate has a molecular weight of 151.12 g/mol, XLogP of -1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetaldehyde;hydroxymethyl carbamate is sourced from PubChem (CID 159302817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).