2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride

C10H12ClNO3 — CID 14536941

IUPAC2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride
SMILESCl.NCC(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H11NO3.ClH/c11-6-9(12)8-3-1-7(2-4-8)5-10(13)14;/h1-4H,5-6,11H2,(H,13,14);1H
InChIKeyDUPGBBVHJNZLNL-UHFFFAOYSA-N
MW229.66 g/mol
LogP0.88
Rot. Bonds4

About 2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride

2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride (PubChem CID 14536941) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride
PubChem CID14536941
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride
SMILESCl.NCC(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H11NO3.ClH/c11-6-9(12)8-3-1-7(2-4-8)5-10(13)14;/h1-4H,5-6,11H2,(H,13,14);1H
InChIKeyDUPGBBVHJNZLNL-UHFFFAOYSA-N
XLogP0.88
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)Benzoic Acid
CID 65526
p-benzoyl-L-phenylalanine
CID 7020128
3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid
CID 65829
2-amino-2-(4-methylphenyl)acetic Acid
CID 5152152
alpha-Amino-4-carboxybenzeneacetic acid
CID 5115
(S)-4Cpg
CID 5311459
(S)-2-amino-2-p-tolylacetic acid
CID 7020729
3-(4-(4-(Aminomethyl)cyclohexane-1-carbonyl)phenyl)propanoic acid--hydrogen chloride (1/1)
CID 133826
4-(2-Aminoethyl)benzoic acid
CID 506066
4-Acetyl-L-phenylalanine
CID 6420123
4-Aminomethylphenylacetic acid
CID 1514144
3-[4-(Diaminomethyl)phenyl]-2-oxopropanoic acid
CID 44364263

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride?
The IUPAC name of 2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride (CID 14536941) is 2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride is Cl.NCC(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride?
The InChIKey is DUPGBBVHJNZLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3.ClH/c11-6-9(12)8-3-1-7(2-4-8)5-10(13)14;/h1-4H,5-6,11H2,(H,13,14);1H.
What are the key properties of 2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride?
2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride has a molecular weight of 229.66 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoacetyl)phenyl]acetic acid;hydrochloride is sourced from PubChem (CID 14536941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).