3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride

C11H15ClN2O3 — CID 54611935

IUPAC3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride
SMILESCl.NCC(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H14N2O3.ClH/c12-7-10(14)13-9-4-1-8(2-5-9)3-6-11(15)16;/h1-2,4-5H,3,6-7,12H2,(H,13,14)(H,15,16);1H
InChIKeyHBNYMHYUOZNRJU-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.02
Rot. Bonds5

About 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride

3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride (PubChem CID 54611935) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride
PubChem CID54611935
Molecular FormulaC11H15ClN2O3
Molecular Weight258.71 g/mol
Exact Mass258.08
IUPAC Name3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride
SMILESCl.NCC(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H14N2O3.ClH/c12-7-10(14)13-9-4-1-8(2-5-9)3-6-11(15)16;/h1-2,4-5H,3,6-7,12H2,(H,13,14)(H,15,16);1H
InChIKeyHBNYMHYUOZNRJU-UHFFFAOYSA-N
XLogP1.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic 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-N-(4-propylphenyl)acetamide
CID 43216495
3-[4-(carbamothioylamino)phenyl]propanoic acid
CID 23224886
3-[4-(carboniodidoylamino)phenyl]propanoic acid
CID 145154280
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336
3-[4-[(N'-methylcarbamimidoyl)amino]phenyl]propanoic acid
CID 68909409
3-[4-(3-methylpentanoylamino)phenyl]propanoic acid
CID 114873832
3-[4-[[5-(diaminomethylideneamino)-5-oxopentanoyl]amino]phenyl]propanoic acid
CID 70099974
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
2-amino-N-[4-(hydroxymethyl)phenyl]acetamide;ethane
CID 144997622
3-[4-(prop-2-ynoylamino)phenyl]propanoic acid
CID 115339396
3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 75482470

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride?
The IUPAC name of 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride (CID 54611935) is 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride is Cl.NCC(=O)Nc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride?
The InChIKey is HBNYMHYUOZNRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.ClH/c12-7-10(14)13-9-4-1-8(2-5-9)3-6-11(15)16;/h1-2,4-5H,3,6-7,12H2,(H,13,14)(H,15,16);1H.
What are the key properties of 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride?
3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 54611935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).