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

C14H19NO5 — CID 81077484

IUPAC5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-19-9-3-4-12(14(17)18)15-13(16)10-5-7-11(20-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMUJLZBTXVVMUJT-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.30
Rot. Bonds8

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

5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid (PubChem CID 81077484) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
PubChem CID81077484
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-19-9-3-4-12(14(17)18)15-13(16)10-5-7-11(20-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMUJLZBTXVVMUJT-UHFFFAOYSA-N
XLogP1.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
(2S)-6-amino-2-[(4-methoxybenzoyl)amino]hexanoic acid
CID 54464551
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 81085643
2-[(4-methoxybenzoyl)amino]pentanedioic acid
CID 23136259
5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 82780991
(2S)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497555
(2R)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497560
5-methoxy-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 81085680
2-[[4-(2-aminoethyl)benzoyl]amino]-5-methoxypentanoic acid
CID 81084211
2-[(3,4-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077142
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid (CID 81077484) is 5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid is COCCCC(NC(=O)c1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid?
The InChIKey is MUJLZBTXVVMUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-9-3-4-12(14(17)18)15-13(16)10-5-7-11(20-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid?
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 81077484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).