5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid

C14H17NO6 — CID 82780991

IUPAC5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C14H17NO6/c1-20-10-5-3-9(4-6-10)13(17)15-11(14(18)19)7-8-12(16)21-2/h3-6,11H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyJUDXMRBEOSDCFH-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.83
Rot. Bonds7

About 5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid

5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid (PubChem CID 82780991) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
PubChem CID82780991
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C14H17NO6/c1-20-10-5-3-9(4-6-10)13(17)15-11(14(18)19)7-8-12(16)21-2/h3-6,11H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyJUDXMRBEOSDCFH-UHFFFAOYSA-N
XLogP0.83
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxybenzoyl)amino]pentanedioic acid
CID 23136259
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(2S)-5-methoxy-2-[[4-(methylamino)benzoyl]amino]-5-oxopentanoic acid
CID 125473444
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[(4-cyanobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780601
(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
(2R)-5-methoxy-2-[(6-methoxypyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820810
4-ethylsulfanyl-2-[(4-methoxybenzoyl)amino]butanoic acid
CID 108766775
2-[(3,5-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107702824
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid (CID 82780991) is 5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid is COC(=O)CCC(NC(=O)c1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid?
The InChIKey is JUDXMRBEOSDCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-20-10-5-3-9(4-6-10)13(17)15-11(14(18)19)7-8-12(16)21-2/h3-6,11H,7-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid?
5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid has a molecular weight of 295.29 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 82780991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).