4-[4-(2-aminoacetyl)phenyl]benzoic acid

C15H13NO3 — CID 170860582

IUPAC4-[4-(2-aminoacetyl)phenyl]benzoic acid
SMILESNCC(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H13NO3/c16-9-14(17)12-5-1-10(2-6-12)11-3-7-13(8-4-11)15(18)19/h1-8H,9,16H2,(H,18,19)
InChIKeyBXADUABGRAUEAH-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.19
Rot. Bonds4

About 4-[4-(2-aminoacetyl)phenyl]benzoic acid

4-[4-(2-aminoacetyl)phenyl]benzoic acid (PubChem CID 170860582) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[4-(2-aminoacetyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-aminoacetyl)phenyl]benzoic acid
PubChem CID170860582
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-[4-(2-aminoacetyl)phenyl]benzoic acid
SMILESNCC(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H13NO3/c16-9-14(17)12-5-1-10(2-6-12)11-3-7-13(8-4-11)15(18)19/h1-8H,9,16H2,(H,18,19)
InChIKeyBXADUABGRAUEAH-UHFFFAOYSA-N
XLogP2.19
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-aminoacetyl)phenyl]benzoic acid
CID 170860911
2-amino-1-[4-(4-anilinophenyl)phenyl]ethanone
CID 67905535
2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid
CID 139668907
terephthalic acid
CID 160582437
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
CID 174473009
4-(2-iodoacetyl)benzoic acid
CID 21257977
sodium;hydride;4-phenylbenzoic acid
CID 173392993
4-(2-bromoacetyl)benzoic acid
CID 2756836
potassium;hydride;4-phenylbenzoic acid
CID 173045180
4-[4-(2-amino-3-hydroxypropyl)phenyl]benzoic acid;hydrochloride
CID 170892858

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoacetyl)phenyl]benzoic acid?
The IUPAC name of 4-[4-(2-aminoacetyl)phenyl]benzoic acid (CID 170860582) is 4-[4-(2-aminoacetyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[4-(2-aminoacetyl)phenyl]benzoic acid?
The canonical SMILES for 4-[4-(2-aminoacetyl)phenyl]benzoic acid is NCC(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-(2-aminoacetyl)phenyl]benzoic acid?
The InChIKey is BXADUABGRAUEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c16-9-14(17)12-5-1-10(2-6-12)11-3-7-13(8-4-11)15(18)19/h1-8H,9,16H2,(H,18,19).
What are the key properties of 4-[4-(2-aminoacetyl)phenyl]benzoic acid?
4-[4-(2-aminoacetyl)phenyl]benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoacetyl)phenyl]benzoic acid is sourced from PubChem (CID 170860582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).