3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid

C15H21NO5 — CID 103153347

IUPAC3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
SMILESCOc1cc(CC(=O)NCC(CC(=O)O)OC)ccc1C
InChIInChI=1S/C15H21NO5/c1-10-4-5-11(6-13(10)21-3)7-14(17)16-9-12(20-2)8-15(18)19/h4-6,12H,7-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAWIVJTWGZNHGLC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.15
Rot. Bonds8

About 3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid

3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid (PubChem CID 103153347) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
PubChem CID103153347
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
SMILESCOc1cc(CC(=O)NCC(CC(=O)O)OC)ccc1C
InChIInChI=1S/C15H21NO5/c1-10-4-5-11(6-13(10)21-3)7-14(17)16-9-12(20-2)8-15(18)19/h4-6,12H,7-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAWIVJTWGZNHGLC-UHFFFAOYSA-N
XLogP1.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
2-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120827889
methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
CID 103879287
4-[[2-(3-aminophenyl)acetyl]amino]-3-methoxybutanoic acid
CID 103156979
3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 81368722
(2S)-4-amino-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63715216
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 99815527
4-[(3-bromo-4-methylbenzoyl)amino]-3-methoxybutanoic acid
CID 103152922
(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 107822772
3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid
CID 103152988
4-[(4-bromo-3-methylbenzoyl)amino]-3-methoxybutanoic acid
CID 103152378

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid (CID 103153347) is 3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid is COc1cc(CC(=O)NCC(CC(=O)O)OC)ccc1C.
What is the InChIKey of 3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid?
The InChIKey is AWIVJTWGZNHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10-4-5-11(6-13(10)21-3)7-14(17)16-9-12(20-2)8-15(18)19/h4-6,12H,7-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid?
3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 103153347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).