2-aminoethanol;benzoic acid

C9H13NO3 — CID 11535682

IUPAC2-aminoethanol;benzoic acid
SMILESNCCO.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C2H7NO/c8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5H,(H,8,9);4H,1-3H2
InChIKeyWUGCLPOLOCIDHW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.32
Rot. Bonds2

About 2-aminoethanol;benzoic acid

2-aminoethanol;benzoic acid (PubChem CID 11535682) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-aminoethanol;benzoic acid.

Molecular Properties

Compound Name2-aminoethanol;benzoic acid
PubChem CID11535682
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-aminoethanol;benzoic acid
SMILESNCCO.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C2H7NO/c8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5H,(H,8,9);4H,1-3H2
InChIKeyWUGCLPOLOCIDHW-UHFFFAOYSA-N
XLogP0.32
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;benzoic acid?
The IUPAC name of 2-aminoethanol;benzoic acid (CID 11535682) is 2-aminoethanol;benzoic acid.
What is the SMILES notation for 2-aminoethanol;benzoic acid?
The canonical SMILES for 2-aminoethanol;benzoic acid is NCCO.O=C(O)c1ccccc1.
What is the InChIKey of 2-aminoethanol;benzoic acid?
The InChIKey is WUGCLPOLOCIDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C2H7NO/c8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5H,(H,8,9);4H,1-3H2.
What are the key properties of 2-aminoethanol;benzoic acid?
2-aminoethanol;benzoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;benzoic acid is sourced from PubChem (CID 11535682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).