2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C19H23NO5 — CID 120533658

IUPAC2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OCCC(NC(=O)c1cccc(-c2ccoc2)c1)C(=O)O
InChIInChI=1S/C19H23NO5/c1-19(2,3)25-10-8-16(18(22)23)20-17(21)14-6-4-5-13(11-14)15-7-9-24-12-15/h4-7,9,11-12,16H,8,10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyOAPREANTSWOFHG-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.33
Rot. Bonds7

About 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 120533658) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID120533658
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OCCC(NC(=O)c1cccc(-c2ccoc2)c1)C(=O)O
InChIInChI=1S/C19H23NO5/c1-19(2,3)25-10-8-16(18(22)23)20-17(21)14-6-4-5-13(11-14)15-7-9-24-12-15/h4-7,9,11-12,16H,8,10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyOAPREANTSWOFHG-UHFFFAOYSA-N
XLogP3.33
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid with MolForge

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Related Compounds

(2S,3S)-2-[[3-(furan-3-yl)benzoyl]amino]-3-methylpentanoic acid
CID 120517399
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide
CID 97082127
2-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533786
2-[(4-chloro-3-fluorobenzoyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533737
2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid
CID 120516946
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120533755
2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533722
2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533670
2-[[2-(2,3-difluorophenyl)acetyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533646
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
CID 62921331
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533619

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 120533658) is 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is CC(C)(C)OCCC(NC(=O)c1cccc(-c2ccoc2)c1)C(=O)O.
What is the InChIKey of 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is OAPREANTSWOFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-19(2,3)25-10-8-16(18(22)23)20-17(21)14-6-4-5-13(11-14)15-7-9-24-12-15/h4-7,9,11-12,16H,8,10H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 345.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 120533658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).