4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid

C14H19NO5 — CID 120703108

IUPAC4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1ccc(OC)cc1C)C(=O)O
InChIInChI=1S/C14H19NO5/c1-9-8-10(20-3)4-5-11(9)13(16)15-12(14(17)18)6-7-19-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKUPCMOTYNAGUQX-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.22
Rot. Bonds7

About 4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid

4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid (PubChem CID 120703108) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
PubChem CID120703108
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1ccc(OC)cc1C)C(=O)O
InChIInChI=1S/C14H19NO5/c1-9-8-10(20-3)4-5-11(9)13(16)15-12(14(17)18)6-7-19-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKUPCMOTYNAGUQX-UHFFFAOYSA-N
XLogP1.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 115413154
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345
4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid
CID 120703120
4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
CID 61243996
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
CID 55075944
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780822
2-[(2-hydroxy-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 24697031
4-methoxy-2-[(2-methyl-5-methylsulfonylbenzoyl)amino]butanoic acid
CID 120703082
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid (CID 120703108) is 4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid is COCCC(NC(=O)c1ccc(OC)cc1C)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid?
The InChIKey is KUPCMOTYNAGUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9-8-10(20-3)4-5-11(9)13(16)15-12(14(17)18)6-7-19-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid?
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 120703108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).