[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

C19H20N2O6 — CID 7727944

IUPAC[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)o2)cc1
InChIInChI=1S/C19H20N2O6/c1-10(2)16(17(23)21-19(20)25)27-18(24)15-9-8-14(26-15)13-6-4-12(5-7-13)11(3)22/h4-10,16H,1-3H3,(H3,20,21,23,25)/t16-/m1/s1
InChIKeyHVQXSHGPVQCOJV-MRXNPFEDSA-N
MW372.38 g/mol
LogP2.53
Rot. Bonds6

About [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 7727944) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID7727944
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)o2)cc1
InChIInChI=1S/C19H20N2O6/c1-10(2)16(17(23)21-19(20)25)27-18(24)15-9-8-14(26-15)13-6-4-12(5-7-13)11(3)22/h4-10,16H,1-3H3,(H3,20,21,23,25)/t16-/m1/s1
InChIKeyHVQXSHGPVQCOJV-MRXNPFEDSA-N
XLogP2.53
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 7755225
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727900
[1-(cycloheptylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18091724
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate
CID 18080375
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950868
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 43015008
(2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
CID 16593715
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727975
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 18080365
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-fluorobenzoate
CID 7478298
(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728035
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8951023

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 7727944) is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)o2)cc1.
What is the InChIKey of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is HVQXSHGPVQCOJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-10(2)16(17(23)21-19(20)25)27-18(24)15-9-8-14(26-15)13-6-4-12(5-7-13)11(3)22/h4-10,16H,1-3H3,(H3,20,21,23,25)/t16-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 7727944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).