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

C17H21NO3 — CID 146465575

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.NC(CO)(CO)CO
InChIInChI=1S/C13H10.C4H11NO3/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;5-4(1-6,2-7)3-8/h1-8H,9H2;6-8H,1-3,5H2
InChIKeyXOHBDPPIXNNNMN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.07
Rot. Bonds3

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

2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene (PubChem CID 146465575) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene
PubChem CID146465575
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.NC(CO)(CO)CO
InChIInChI=1S/C13H10.C4H11NO3/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;5-4(1-6,2-7)3-8/h1-8H,9H2;6-8H,1-3,5H2
InChIKeyXOHBDPPIXNNNMN-UHFFFAOYSA-N
XLogP1.07
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene (CID 146465575) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene is C1=Cc2cccc3cccc(c23)C1.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene?
The InChIKey is XOHBDPPIXNNNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C4H11NO3/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;5-4(1-6,2-7)3-8/h1-8H,9H2;6-8H,1-3,5H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene?
2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene has a molecular weight of 287.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene is sourced from PubChem (CID 146465575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).