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

C12H21NO4 — CID 67532608

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol
SMILESCCc1ccccc1O.NC(CO)(CO)CO
InChIInChI=1S/C8H10O.C4H11NO3/c1-2-7-5-3-4-6-8(7)9;5-4(1-6,2-7)3-8/h3-6,9H,2H2,1H3;6-8H,1-3,5H2
InChIKeyIVSKRAQGBJABPQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP-0.38
Rot. Bonds4

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

2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol (PubChem CID 67532608) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol
PubChem CID67532608
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol
SMILESCCc1ccccc1O.NC(CO)(CO)CO
InChIInChI=1S/C8H10O.C4H11NO3/c1-2-7-5-3-4-6-8(7)9;5-4(1-6,2-7)3-8/h3-6,9H,2H2,1H3;6-8H,1-3,5H2
InChIKeyIVSKRAQGBJABPQ-UHFFFAOYSA-N
XLogP-0.38
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-amino-2-methylpropyl)phenol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol (CID 67532608) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol is CCc1ccccc1O.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol?
The InChIKey is IVSKRAQGBJABPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C4H11NO3/c1-2-7-5-3-4-6-8(7)9;5-4(1-6,2-7)3-8/h3-6,9H,2H2,1H3;6-8H,1-3,5H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol?
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol has a molecular weight of 243.30 g/mol, XLogP of -0.38, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol is sourced from PubChem (CID 67532608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).