3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid

C16H17NO4 — CID 82324557

IUPAC3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
SMILESCC(CN(Cc1ccco1)C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C16H17NO4/c1-12(16(19)20)10-17(11-14-8-5-9-21-14)15(18)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,19,20)
InChIKeySOGMPUGBRCOESM-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.64
Rot. Bonds6

About 3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid

3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid (PubChem CID 82324557) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
PubChem CID82324557
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
SMILESCC(CN(Cc1ccco1)C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C16H17NO4/c1-12(16(19)20)10-17(11-14-8-5-9-21-14)15(18)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,19,20)
InChIKeySOGMPUGBRCOESM-UHFFFAOYSA-N
XLogP2.64
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-[furan-2-carbonyl-[(4-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82324405
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5146813
3-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003490
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966

Frequently Asked Questions

What is the IUPAC name of 3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid (CID 82324557) is 3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid is CC(CN(Cc1ccco1)C(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid?
The InChIKey is SOGMPUGBRCOESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-12(16(19)20)10-17(11-14-8-5-9-21-14)15(18)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,19,20).
What are the key properties of 3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid?
3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82324557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).