2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid

C16H15NO5 — CID 108806972

IUPAC2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
SMILESO=C(CCOc1ccccc1)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C16H15NO5/c18-14-10-11(6-7-13(14)16(20)21)17-15(19)8-9-22-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2,(H,17,19)(H,20,21)
InChIKeyKGAMBGUEWSVZJH-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.50
Rot. Bonds6

About 2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid

2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid (PubChem CID 108806972) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
PubChem CID108806972
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
SMILESO=C(CCOc1ccccc1)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C16H15NO5/c18-14-10-11(6-7-13(14)16(20)21)17-15(19)8-9-22-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2,(H,17,19)(H,20,21)
InChIKeyKGAMBGUEWSVZJH-UHFFFAOYSA-N
XLogP2.50
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
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N-(3,5-dichlorophenyl)-3-phenoxypropanamide
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2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid
CID 4896531
2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
CID 63654084
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
N-(3-formylphenyl)-3-phenoxypropanamide
CID 106912466
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide
CID 62315442
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid (CID 108806972) is 2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid is O=C(CCOc1ccccc1)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid?
The InChIKey is KGAMBGUEWSVZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c18-14-10-11(6-7-13(14)16(20)21)17-15(19)8-9-22-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2,(H,17,19)(H,20,21).
What are the key properties of 2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid?
2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid has a molecular weight of 301.30 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid is sourced from PubChem (CID 108806972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).