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

C16H21NO4 — CID 146135252

IUPAC2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
SMILESCOc1cc(CC(=O)N(CC(=O)O)C2CCC2)ccc1C
InChIInChI=1S/C16H21NO4/c1-11-6-7-12(8-14(11)21-2)9-15(18)17(10-16(19)20)13-4-3-5-13/h6-8,13H,3-5,9-10H2,1-2H3,(H,19,20)
InChIKeyCXRPFHGKXJVNMK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.01
Rot. Bonds6

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

2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid (PubChem CID 146135252) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
PubChem CID146135252
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
SMILESCOc1cc(CC(=O)N(CC(=O)O)C2CCC2)ccc1C
InChIInChI=1S/C16H21NO4/c1-11-6-7-12(8-14(11)21-2)9-15(18)17(10-16(19)20)13-4-3-5-13/h6-8,13H,3-5,9-10H2,1-2H3,(H,19,20)
InChIKeyCXRPFHGKXJVNMK-UHFFFAOYSA-N
XLogP2.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911
2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 60826379
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 110003368
2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106
N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide
CID 63754631
2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39401965
3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 61008101
2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 60826593
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid (CID 146135252) is 2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid is COc1cc(CC(=O)N(CC(=O)O)C2CCC2)ccc1C.
What is the InChIKey of 2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid?
The InChIKey is CXRPFHGKXJVNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-6-7-12(8-14(11)21-2)9-15(18)17(10-16(19)20)13-4-3-5-13/h6-8,13H,3-5,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid?
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 146135252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).