ethylcarbamic acid;molecular hydrogen

C3H9NO2 — CID 142924584

IUPACethylcarbamic acid;molecular hydrogen
SMILESCCNC(=O)O.[H][H]
InChIInChI=1S/C3H7NO2.H2/c1-2-4-3(5)6;/h4H,2H2,1H3,(H,5,6);1H
InChIKeyUAXYVLCGQYNVLK-UHFFFAOYSA-N
MW91.11 g/mol
LogP0.52
Rot. Bonds1

About ethylcarbamic acid;molecular hydrogen

ethylcarbamic acid;molecular hydrogen (PubChem CID 142924584) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is ethylcarbamic acid;molecular hydrogen.

Molecular Properties

Compound Nameethylcarbamic acid;molecular hydrogen
PubChem CID142924584
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC Nameethylcarbamic acid;molecular hydrogen
SMILESCCNC(=O)O.[H][H]
InChIInChI=1S/C3H7NO2.H2/c1-2-4-3(5)6;/h4H,2H2,1H3,(H,5,6);1H
InChIKeyUAXYVLCGQYNVLK-UHFFFAOYSA-N
XLogP0.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87148402
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CID 3026651

Frequently Asked Questions

What is the IUPAC name of ethylcarbamic acid;molecular hydrogen?
The IUPAC name of ethylcarbamic acid;molecular hydrogen (CID 142924584) is ethylcarbamic acid;molecular hydrogen.
What is the SMILES notation for ethylcarbamic acid;molecular hydrogen?
The canonical SMILES for ethylcarbamic acid;molecular hydrogen is CCNC(=O)O.[H][H].
What is the InChIKey of ethylcarbamic acid;molecular hydrogen?
The InChIKey is UAXYVLCGQYNVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.H2/c1-2-4-3(5)6;/h4H,2H2,1H3,(H,5,6);1H.
What are the key properties of ethylcarbamic acid;molecular hydrogen?
ethylcarbamic acid;molecular hydrogen has a molecular weight of 91.11 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcarbamic acid;molecular hydrogen is sourced from PubChem (CID 142924584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).