(4-benzoylphenyl) 2-aminoacetate

C15H13NO3 — CID 174837870

IUPAC(4-benzoylphenyl) 2-aminoacetate
SMILESNCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c16-10-14(17)19-13-8-6-12(7-9-13)15(18)11-4-2-1-3-5-11/h1-9H,10,16H2
InChIKeyAJYVLCNLHXKFCL-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.78
Rot. Bonds4

About (4-benzoylphenyl) 2-aminoacetate

(4-benzoylphenyl) 2-aminoacetate (PubChem CID 174837870) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (4-benzoylphenyl) 2-aminoacetate.

Molecular Properties

Compound Name(4-benzoylphenyl) 2-aminoacetate
PubChem CID174837870
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(4-benzoylphenyl) 2-aminoacetate
SMILESNCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c16-10-14(17)19-13-8-6-12(7-9-13)15(18)11-4-2-1-3-5-11/h1-9H,10,16H2
InChIKeyAJYVLCNLHXKFCL-UHFFFAOYSA-N
XLogP1.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-benzoylphenyl) 2-pyridin-4-yloxyacetate
CID 23732050
2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid
CID 59772116
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
methyl 2-aminoacetate;bis(methyl 3-aminopropanoate);phenyl 2-aminoacetate
CID 157086326
(4-benzoylphenyl) (2S)-2-amino-3-methylbutanoate
CID 11022873
diphenylmethanone
CID 3102
(4-benzoylphenyl) 2-(4-nitrophenoxy)acetate
CID 1069094
(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 118078754
potassium;(4-chlorophenyl) 2-aminoacetate;hydride
CID 174962254
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 2-aminoacetate?
The IUPAC name of (4-benzoylphenyl) 2-aminoacetate (CID 174837870) is (4-benzoylphenyl) 2-aminoacetate.
What is the SMILES notation for (4-benzoylphenyl) 2-aminoacetate?
The canonical SMILES for (4-benzoylphenyl) 2-aminoacetate is NCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl) 2-aminoacetate?
The InChIKey is AJYVLCNLHXKFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c16-10-14(17)19-13-8-6-12(7-9-13)15(18)11-4-2-1-3-5-11/h1-9H,10,16H2.
What are the key properties of (4-benzoylphenyl) 2-aminoacetate?
(4-benzoylphenyl) 2-aminoacetate has a molecular weight of 255.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 2-aminoacetate is sourced from PubChem (CID 174837870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).