2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride

C11H14ClNO4 — CID 67570371

IUPAC2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride
SMILESCC(N)C(=O)c1ccc(OCC(=O)O)cc1.Cl
InChIInChI=1S/C11H13NO4.ClH/c1-7(12)11(15)8-2-4-9(5-3-8)16-6-10(13)14;/h2-5,7H,6,12H2,1H3,(H,13,14);1H
InChIKeyCQPZVQIZWKEERQ-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.10
Rot. Bonds5

About 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride

2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride (PubChem CID 67570371) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride
PubChem CID67570371
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride
SMILESCC(N)C(=O)c1ccc(OCC(=O)O)cc1.Cl
InChIInChI=1S/C11H13NO4.ClH/c1-7(12)11(15)8-2-4-9(5-3-8)16-6-10(13)14;/h2-5,7H,6,12H2,1H3,(H,13,14);1H
InChIKeyCQPZVQIZWKEERQ-UHFFFAOYSA-N
XLogP1.10
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341494
2-amino-1-(4-decoxyphenyl)propan-1-one
CID 19897003
4-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-4-oxobutanoic acid
CID 21249128
(2S)-2-[4-(2-aminopropanoyl)phenoxy]butanoic acid;hydrochloride
CID 67650862
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
2-[4-(2-aminoacetyl)phenoxy]acetic acid
CID 14536945
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601032
2-[4-[[(2R)-1-(4-methanehydrazonoylphenyl)-1-oxopropan-2-yl]carbamoyl]phenoxy]acetic acid
CID 67569316
(2S)-2-amino-1-[4-(bromomethyl)phenyl]propan-1-one;hydrochloride
CID 155254847
2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid
CID 170892009
CID 157442056
CID 157442056
2-(4-propan-2-ylsulfonylphenoxy)acetic acid
CID 82646763

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride?
The IUPAC name of 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride (CID 67570371) is 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride is CC(N)C(=O)c1ccc(OCC(=O)O)cc1.Cl.
What is the InChIKey of 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride?
The InChIKey is CQPZVQIZWKEERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4.ClH/c1-7(12)11(15)8-2-4-9(5-3-8)16-6-10(13)14;/h2-5,7H,6,12H2,1H3,(H,13,14);1H.
What are the key properties of 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride?
2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride has a molecular weight of 259.69 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride is sourced from PubChem (CID 67570371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).