2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid

C15H21NO4 — CID 43618494

IUPAC2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-9-15(2,14(18)19)16-13(17)10-11-7-5-6-8-12(11)20-3/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyIRQGOADVSJOFQF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.00
Rot. Bonds7

About 2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid

2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid (PubChem CID 43618494) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
PubChem CID43618494
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-9-15(2,14(18)19)16-13(17)10-11-7-5-6-8-12(11)20-3/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyIRQGOADVSJOFQF-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119192194
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 113343242
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115
N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide
CID 114304648
2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
CID 120517066
2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid
CID 120977689
2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61189710
(2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide
CID 99777935
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid (CID 43618494) is 2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)Cc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid?
The InChIKey is IRQGOADVSJOFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-9-15(2,14(18)19)16-13(17)10-11-7-5-6-8-12(11)20-3/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid?
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 43618494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).