2-aminoethanol;2-phenylbutanoic acid

C12H19NO3 — CID 15858

IUPAC2-aminoethanol;2-phenylbutanoic acid
SMILESCCC(C(=O)O)c1ccccc1.NCCO
InChIInChI=1S/C10H12O2.C2H7NO/c1-2-9(10(11)12)8-6-4-3-5-7-8;3-1-2-4/h3-7,9H,2H2,1H3,(H,11,12);4H,1-3H2
InChIKeyOBBCMAHJFIJQIK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds4

About 2-aminoethanol;2-phenylbutanoic acid

2-aminoethanol;2-phenylbutanoic acid (PubChem CID 15858) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-aminoethanol;2-phenylbutanoic acid.

Molecular Properties

Compound Name2-aminoethanol;2-phenylbutanoic acid
PubChem CID15858
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-aminoethanol;2-phenylbutanoic acid
SMILESCCC(C(=O)O)c1ccccc1.NCCO
InChIInChI=1S/C10H12O2.C2H7NO/c1-2-9(10(11)12)8-6-4-3-5-7-8;3-1-2-4/h3-7,9H,2H2,1H3,(H,11,12);4H,1-3H2
InChIKeyOBBCMAHJFIJQIK-UHFFFAOYSA-N
XLogP1.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-phenylbutanoic acid?
The IUPAC name of 2-aminoethanol;2-phenylbutanoic acid (CID 15858) is 2-aminoethanol;2-phenylbutanoic acid.
What is the SMILES notation for 2-aminoethanol;2-phenylbutanoic acid?
The canonical SMILES for 2-aminoethanol;2-phenylbutanoic acid is CCC(C(=O)O)c1ccccc1.NCCO.
What is the InChIKey of 2-aminoethanol;2-phenylbutanoic acid?
The InChIKey is OBBCMAHJFIJQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C2H7NO/c1-2-9(10(11)12)8-6-4-3-5-7-8;3-1-2-4/h3-7,9H,2H2,1H3,(H,11,12);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-phenylbutanoic acid?
2-aminoethanol;2-phenylbutanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-phenylbutanoic acid is sourced from PubChem (CID 15858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).