2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol

C7H19NO5 — CID 174799248

IUPAC2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol
SMILESNCCO.OCC(CO)(CO)CO
InChIInChI=1S/C5H12O4.C2H7NO/c6-1-5(2-7,3-8)4-9;3-1-2-4/h6-9H,1-4H2;4H,1-3H2
InChIKeyTZNGLZUIJXLQHF-UHFFFAOYSA-N
MW197.23 g/mol
LogP-3.12
Rot. Bonds5

About 2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol

2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol (PubChem CID 174799248) has the molecular formula C7H19NO5 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol
PubChem CID174799248
Molecular FormulaC7H19NO5
Molecular Weight197.23 g/mol
Exact Mass197.13
IUPAC Name2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol
SMILESNCCO.OCC(CO)(CO)CO
InChIInChI=1S/C5H12O4.C2H7NO/c6-1-5(2-7,3-8)4-9;3-1-2-4/h6-9H,1-4H2;4H,1-3H2
InChIKeyTZNGLZUIJXLQHF-UHFFFAOYSA-N
XLogP-3.12
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500197.23
LogP ≤ 5-3.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol (CID 174799248) is 2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol is NCCO.OCC(CO)(CO)CO.
What is the InChIKey of 2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol?
The InChIKey is TZNGLZUIJXLQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.C2H7NO/c6-1-5(2-7,3-8)4-9;3-1-2-4/h6-9H,1-4H2;4H,1-3H2.
What are the key properties of 2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol?
2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol has a molecular weight of 197.23 g/mol, XLogP of -3.12, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 174799248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).