2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid

C18H17NO5 — CID 85073566

IUPAC2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid
SMILESCC(C(=O)NCC(=O)O)c1cc(C(=O)c2ccccc2)ccc1O
InChIInChI=1S/C18H17NO5/c1-11(18(24)19-10-16(21)22)14-9-13(7-8-15(14)20)17(23)12-5-3-2-4-6-12/h2-9,11,20H,10H2,1H3,(H,19,24)(H,21,22)
InChIKeyTWZGXXUWYWBDPB-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.93
Rot. Bonds6

About 2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid

2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid (PubChem CID 85073566) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid
PubChem CID85073566
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid
SMILESCC(C(=O)NCC(=O)O)c1cc(C(=O)c2ccccc2)ccc1O
InChIInChI=1S/C18H17NO5/c1-11(18(24)19-10-16(21)22)14-9-13(7-8-15(14)20)17(23)12-5-3-2-4-6-12/h2-9,11,20H,10H2,1H3,(H,19,24)(H,21,22)
InChIKeyTWZGXXUWYWBDPB-UHFFFAOYSA-N
XLogP1.93
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid
CID 3065894
2-acetamidoacetic acid;S-methyl 2-(3-benzoylphenyl)propanethioate
CID 144553174
2-[2-(3-propan-2-ylphenyl)propanoylamino]acetic acid
CID 85054099
3-(5-benzoyl-2-hydroxyphenyl)propanoic acid
CID 14089152
3-(4-benzoylphenyl)-3-oxopropanoic acid
CID 170886863
(2S)-2-amino-4-[2-(3-benzoylphenyl)propanoylamino]butanoic acid
CID 155451997
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710
[4-(2-hydroxypropylamino)phenyl]-phenylmethanone
CID 59712632
2-[2-(4-bromophenyl)propanoylamino]acetic acid
CID 120513559
2-(3-benzoylphenyl)-N-(cyclohexylmethyl)propanamide
CID 46211146
3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium
CID 10229205
(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 98001029

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid?
The IUPAC name of 2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid (CID 85073566) is 2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid?
The canonical SMILES for 2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid is CC(C(=O)NCC(=O)O)c1cc(C(=O)c2ccccc2)ccc1O.
What is the InChIKey of 2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid?
The InChIKey is TWZGXXUWYWBDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-11(18(24)19-10-16(21)22)14-9-13(7-8-15(14)20)17(23)12-5-3-2-4-6-12/h2-9,11,20H,10H2,1H3,(H,19,24)(H,21,22).
What are the key properties of 2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid?
2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid has a molecular weight of 327.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-benzoyl-2-hydroxyphenyl)propanoylamino]acetic acid is sourced from PubChem (CID 85073566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).