2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine

C8H20N2O4 — CID 160754828

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine
SMILESC1COCCN1.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C4H9NO/c5-4(1-6,2-7)3-8;1-3-6-4-2-5-1/h6-8H,1-3,5H2;5H,1-4H2
InChIKeyRXHGEVVEDSUNHM-UHFFFAOYSA-N
MW208.26 g/mol
LogP-2.73
Rot. Bonds3

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine

2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine (PubChem CID 160754828) has the molecular formula C8H20N2O4 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine
PubChem CID160754828
Molecular FormulaC8H20N2O4
Molecular Weight208.26 g/mol
Exact Mass208.14
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine
SMILESC1COCCN1.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C4H9NO/c5-4(1-6,2-7)3-8;1-3-6-4-2-5-1/h6-8H,1-3,5H2;5H,1-4H2
InChIKeyRXHGEVVEDSUNHM-UHFFFAOYSA-N
XLogP-2.73
TPSA107.97 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-2.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine (CID 160754828) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine is C1COCCN1.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine?
The InChIKey is RXHGEVVEDSUNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.C4H9NO/c5-4(1-6,2-7)3-8;1-3-6-4-2-5-1/h6-8H,1-3,5H2;5H,1-4H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine?
2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine has a molecular weight of 208.26 g/mol, XLogP of -2.73, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;morpholine is sourced from PubChem (CID 160754828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).