2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid

C16H23NO6 — CID 120702074

IUPAC2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
SMILESCCOc1ccc(C(=O)NC(CCOC)C(=O)O)cc1OCC
InChIInChI=1S/C16H23NO6/c1-4-22-13-7-6-11(10-14(13)23-5-2)15(18)17-12(16(19)20)8-9-21-3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyZLLGBCCDHMZFST-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.70
Rot. Bonds10

About 2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid

2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid (PubChem CID 120702074) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
PubChem CID120702074
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
SMILESCCOc1ccc(C(=O)NC(CCOC)C(=O)O)cc1OCC
InChIInChI=1S/C16H23NO6/c1-4-22-13-7-6-11(10-14(13)23-5-2)15(18)17-12(16(19)20)8-9-21-3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyZLLGBCCDHMZFST-UHFFFAOYSA-N
XLogP1.70
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide
CID 106180328
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636
4-methoxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 62480545
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid (CID 120702074) is 2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid is CCOc1ccc(C(=O)NC(CCOC)C(=O)O)cc1OCC.
What is the InChIKey of 2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid?
The InChIKey is ZLLGBCCDHMZFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6/c1-4-22-13-7-6-11(10-14(13)23-5-2)15(18)17-12(16(19)20)8-9-21-3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid?
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid has a molecular weight of 325.36 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120702074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).