[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid

C10H13NO4 — CID 67420413

IUPAC[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
SMILESCN(CC(O)c1cccc(O)c1)C(=O)O
InChIInChI=1S/C10H13NO4/c1-11(10(14)15)6-9(13)7-3-2-4-8(12)5-7/h2-5,9,12-13H,6H2,1H3,(H,14,15)
InChIKeyNBGBCUMYNWUYOL-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.04
Rot. Bonds3

About [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid

[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid (PubChem CID 67420413) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
PubChem CID67420413
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
SMILESCN(CC(O)c1cccc(O)c1)C(=O)O
InChIInChI=1S/C10H13NO4/c1-11(10(14)15)6-9(13)7-3-2-4-8(12)5-7/h2-5,9,12-13H,6H2,1H3,(H,14,15)
InChIKeyNBGBCUMYNWUYOL-UHFFFAOYSA-N
XLogP1.04
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid?
The IUPAC name of [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid (CID 67420413) is [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid.
What is the SMILES notation for [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid?
The canonical SMILES for [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid is CN(CC(O)c1cccc(O)c1)C(=O)O.
What is the InChIKey of [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid?
The InChIKey is NBGBCUMYNWUYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-11(10(14)15)6-9(13)7-3-2-4-8(12)5-7/h2-5,9,12-13H,6H2,1H3,(H,14,15).
What are the key properties of [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid?
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid has a molecular weight of 211.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid is sourced from PubChem (CID 67420413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).