2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride

C10H14ClNO3 — CID 126796321

IUPAC2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride
SMILESCl.NCC(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C10H13NO3.ClH/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7;/h1-3,5,8,12H,4,6,11H2,(H,13,14);1H
InChIKeyDSFGZAWYFPDIFV-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.02
Rot. Bonds4

About 2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride

2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride (PubChem CID 126796321) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride
PubChem CID126796321
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride
SMILESCl.NCC(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C10H13NO3.ClH/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7;/h1-3,5,8,12H,4,6,11H2,(H,13,14);1H
InChIKeyDSFGZAWYFPDIFV-UHFFFAOYSA-N
XLogP1.02
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride (CID 126796321) is 2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride is Cl.NCC(Cc1cccc(O)c1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride?
The InChIKey is DSFGZAWYFPDIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7;/h1-3,5,8,12H,4,6,11H2,(H,13,14);1H.
What are the key properties of 2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride?
2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-hydroxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 126796321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).