2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid

C16H21NO4 — CID 79843985

IUPAC2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid
SMILESCOc1ccc(C)cc1CC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C16H21NO4/c1-11-4-5-13(21-2)12(8-11)9-14(18)17-16(6-3-7-16)10-15(19)20/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWIPMZGDUJYNFNW-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.06
Rot. Bonds6

About 2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79843985) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79843985
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid
SMILESCOc1ccc(C)cc1CC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C16H21NO4/c1-11-4-5-13(21-2)12(8-11)9-14(18)17-16(6-3-7-16)10-15(19)20/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWIPMZGDUJYNFNW-UHFFFAOYSA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575518
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
CID 120686845
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid (CID 79843985) is 2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid is COc1ccc(C)cc1CC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is WIPMZGDUJYNFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-4-5-13(21-2)12(8-11)9-14(18)17-16(6-3-7-16)10-15(19)20/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79843985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).