4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid

C17H17NO5 — CID 719424

IUPAC4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
SMILESCOc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H17NO5/c1-11(23-15-9-7-14(22-2)8-10-15)16(19)18-13-5-3-12(4-6-13)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)/t11-/m1/s1
InChIKeyGPYPNGXBFKBULB-LLVKDONJSA-N
MW315.33 g/mol
LogP2.80
Rot. Bonds6

About 4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid

4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid (PubChem CID 719424) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
PubChem CID719424
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
SMILESCOc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H17NO5/c1-11(23-15-9-7-14(22-2)8-10-15)16(19)18-13-5-3-12(4-6-13)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)/t11-/m1/s1
InChIKeyGPYPNGXBFKBULB-LLVKDONJSA-N
XLogP2.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
CID 43905180
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid?
The IUPAC name of 4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid (CID 719424) is 4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid?
The canonical SMILES for 4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid is COc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid?
The InChIKey is GPYPNGXBFKBULB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17NO5/c1-11(23-15-9-7-14(22-2)8-10-15)16(19)18-13-5-3-12(4-6-13)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)/t11-/m1/s1.
What are the key properties of 4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid?
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid has a molecular weight of 315.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid is sourced from PubChem (CID 719424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).