2-[(4-methoxybenzoyl)amino]pentanedioic acid

C13H15NO6 — CID 23136259

IUPAC2-[(4-methoxybenzoyl)amino]pentanedioic acid
SMILESCOc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChIInChI=1S/C13H15NO6/c1-20-9-4-2-8(3-5-9)12(17)14-10(13(18)19)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyILWUXWMUEOQHMY-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.74
Rot. Bonds7

About 2-[(4-methoxybenzoyl)amino]pentanedioic acid

2-[(4-methoxybenzoyl)amino]pentanedioic acid (PubChem CID 23136259) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]pentanedioic acid
PubChem CID23136259
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name2-[(4-methoxybenzoyl)amino]pentanedioic acid
SMILESCOc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChIInChI=1S/C13H15NO6/c1-20-9-4-2-8(3-5-9)12(17)14-10(13(18)19)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyILWUXWMUEOQHMY-UHFFFAOYSA-N
XLogP0.74
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 82780991
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid
CID 84555720
(2R)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497560
(2S)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497555
(2S)-6-amino-2-[(4-methoxybenzoyl)amino]hexanoic acid
CID 54464551
4-ethylsulfanyl-2-[(4-methoxybenzoyl)amino]butanoic acid
CID 108766775
2-[(4-methylsulfanylbenzoyl)amino]pentanedioic acid
CID 60657122
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2S)-5-[[(2R)-1-(carboxymethylamino)-3-(4-methoxybenzoyl)sulfanyl-1-oxopropan-2-yl]amino]-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 135015612

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]pentanedioic acid?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]pentanedioic acid (CID 23136259) is 2-[(4-methoxybenzoyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]pentanedioic acid is COc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]pentanedioic acid?
The InChIKey is ILWUXWMUEOQHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-20-9-4-2-8(3-5-9)12(17)14-10(13(18)19)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[(4-methoxybenzoyl)amino]pentanedioic acid?
2-[(4-methoxybenzoyl)amino]pentanedioic acid has a molecular weight of 281.26 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]pentanedioic acid is sourced from PubChem (CID 23136259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).