2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride

C10H14ClNO3 — CID 44523140

IUPAC2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNCC(O)c1ccccc1
InChIInChI=1S/C10H13NO3.ClH/c12-9(6-11-7-10(13)14)8-4-2-1-3-5-8;/h1-5,9,11-12H,6-7H2,(H,13,14);1H
InChIKeyJBNCQILTXLJHID-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.82
Rot. Bonds5

About 2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride

2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride (PubChem CID 44523140) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride
PubChem CID44523140
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNCC(O)c1ccccc1
InChIInChI=1S/C10H13NO3.ClH/c12-9(6-11-7-10(13)14)8-4-2-1-3-5-8;/h1-5,9,11-12H,6-7H2,(H,13,14);1H
InChIKeyJBNCQILTXLJHID-UHFFFAOYSA-N
XLogP0.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride (CID 44523140) is 2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride is Cl.O=C(O)CNCC(O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride?
The InChIKey is JBNCQILTXLJHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c12-9(6-11-7-10(13)14)8-4-2-1-3-5-8;/h1-5,9,11-12H,6-7H2,(H,13,14);1H.
What are the key properties of 2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride?
2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylethyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 44523140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).