formic acid;1-(1-hydroxyethylamino)ethanol

C5H13NO4 — CID 87300011

IUPACformic acid;1-(1-hydroxyethylamino)ethanol
SMILESCC(O)NC(C)O.O=CO
InChIInChI=1S/C4H11NO2.CH2O2/c1-3(6)5-4(2)7;2-1-3/h3-7H,1-2H3;1H,(H,2,3)
InChIKeyMLGUTUCDTAMDLS-UHFFFAOYSA-N
MW151.16 g/mol
LogP-1.05
Rot. Bonds2

About formic acid;1-(1-hydroxyethylamino)ethanol

formic acid;1-(1-hydroxyethylamino)ethanol (PubChem CID 87300011) has the molecular formula C5H13NO4 and a molecular weight of 151.16 g/mol. Its IUPAC name is formic acid;1-(1-hydroxyethylamino)ethanol.

Molecular Properties

Compound Nameformic acid;1-(1-hydroxyethylamino)ethanol
PubChem CID87300011
Molecular FormulaC5H13NO4
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Nameformic acid;1-(1-hydroxyethylamino)ethanol
SMILESCC(O)NC(C)O.O=CO
InChIInChI=1S/C4H11NO2.CH2O2/c1-3(6)5-4(2)7;2-1-3/h3-7H,1-2H3;1H,(H,2,3)
InChIKeyMLGUTUCDTAMDLS-UHFFFAOYSA-N
XLogP-1.05
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of formic acid;1-(1-hydroxyethylamino)ethanol?
The IUPAC name of formic acid;1-(1-hydroxyethylamino)ethanol (CID 87300011) is formic acid;1-(1-hydroxyethylamino)ethanol.
What is the SMILES notation for formic acid;1-(1-hydroxyethylamino)ethanol?
The canonical SMILES for formic acid;1-(1-hydroxyethylamino)ethanol is CC(O)NC(C)O.O=CO.
What is the InChIKey of formic acid;1-(1-hydroxyethylamino)ethanol?
The InChIKey is MLGUTUCDTAMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.CH2O2/c1-3(6)5-4(2)7;2-1-3/h3-7H,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;1-(1-hydroxyethylamino)ethanol?
formic acid;1-(1-hydroxyethylamino)ethanol has a molecular weight of 151.16 g/mol, XLogP of -1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-(1-hydroxyethylamino)ethanol is sourced from PubChem (CID 87300011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).