2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid

C17H19NO4 — CID 120516946

IUPAC2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cccc(-c2ccoc2)c1)C(=O)O
InChIInChI=1S/C17H19NO4/c1-3-8-17(2,16(20)21)18-15(19)13-6-4-5-12(10-13)14-7-9-22-11-14/h4-7,9-11H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPZALYSONLVJHQD-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.32
Rot. Bonds6

About 2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid

2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid (PubChem CID 120516946) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid
PubChem CID120516946
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cccc(-c2ccoc2)c1)C(=O)O
InChIInChI=1S/C17H19NO4/c1-3-8-17(2,16(20)21)18-15(19)13-6-4-5-12(10-13)14-7-9-22-11-14/h4-7,9-11H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPZALYSONLVJHQD-UHFFFAOYSA-N
XLogP3.32
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid
CID 119192325
2-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 43618545
(2S,3S)-2-[[3-(furan-3-yl)benzoyl]amino]-3-methylpentanoic acid
CID 120517399
2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533658
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylpentanoic acid
CID 43619133
2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
CID 55163046
2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methylpentanoic acid
CID 120516977
2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid
CID 119192106
2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid
CID 43618481
1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120512717
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide
CID 97082127

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid (CID 120516946) is 2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cccc(-c2ccoc2)c1)C(=O)O.
What is the InChIKey of 2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid?
The InChIKey is PZALYSONLVJHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-8-17(2,16(20)21)18-15(19)13-6-4-5-12(10-13)14-7-9-22-11-14/h4-7,9-11H,3,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid?
2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid has a molecular weight of 301.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 120516946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).