ethane-1,2-diol carbamate

C3H8NO4- — CID 18944668

IUPACethane-1,2-diol carbamate
SMILESNC(=O)[O-].OCCO
InChIInChI=1S/C2H6O2.CH3NO2/c3-1-2-4;2-1(3)4/h3-4H,1-2H2;2H2,(H,3,4)/p-1
InChIKeyHYMPIGUCUSYKTK-UHFFFAOYSA-M
MW122.10 g/mol
LogP-2.74
Rot. Bonds1

About ethane-1,2-diol carbamate

ethane-1,2-diol carbamate (PubChem CID 18944668) has the molecular formula C3H8NO4- and a molecular weight of 122.10 g/mol. Its IUPAC name is ethane-1,2-diol carbamate.

Molecular Properties

Compound Nameethane-1,2-diol carbamate
PubChem CID18944668
Molecular FormulaC3H8NO4-
Molecular Weight122.10 g/mol
Exact Mass122.05
IUPAC Nameethane-1,2-diol carbamate
SMILESNC(=O)[O-].OCCO
InChIInChI=1S/C2H6O2.CH3NO2/c3-1-2-4;2-1(3)4/h3-4H,1-2H2;2H2,(H,3,4)/p-1
InChIKeyHYMPIGUCUSYKTK-UHFFFAOYSA-M
XLogP-2.74
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.10
LogP ≤ 5-2.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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lithium carbamate
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tetrasodium;ethane-1,2-diol;oxalate
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CID 158185859
strontium;ethane-1,2-diol;diacetate
CID 159361133
2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
CID 23615624
sodium;acetic acid;ethane-1,2-diol;acetate
CID 174903059
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CID 23118320
triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide
CID 21150177
(E)-but-2-enedioate carbamate
CID 19782510
2-amino-2,2-dideuterioacetate
CID 59915671
sodium;ethane-1,2-diol;hydrogen sulfite
CID 23678211

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol carbamate?
The IUPAC name of ethane-1,2-diol carbamate (CID 18944668) is ethane-1,2-diol carbamate.
What is the SMILES notation for ethane-1,2-diol carbamate?
The canonical SMILES for ethane-1,2-diol carbamate is NC(=O)[O-].OCCO.
What is the InChIKey of ethane-1,2-diol carbamate?
The InChIKey is HYMPIGUCUSYKTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O2.CH3NO2/c3-1-2-4;2-1(3)4/h3-4H,1-2H2;2H2,(H,3,4)/p-1.
What are the key properties of ethane-1,2-diol carbamate?
ethane-1,2-diol carbamate has a molecular weight of 122.10 g/mol, XLogP of -2.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol carbamate is sourced from PubChem (CID 18944668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).