[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate

C14H19NO6 — CID 18102825

IUPAC[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate
SMILESCCC(C)C(NC(=O)COC(=O)c1ccoc1)C(=O)OC
InChIInChI=1S/C14H19NO6/c1-4-9(2)12(14(18)19-3)15-11(16)8-21-13(17)10-5-6-20-7-10/h5-7,9,12H,4,8H2,1-3H3,(H,15,16)
InChIKeyBDSGAGGDYVTMKO-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.14
Rot. Bonds7

About [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate

[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate (PubChem CID 18102825) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate.

Molecular Properties

Compound Name[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate
PubChem CID18102825
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate
SMILESCCC(C)C(NC(=O)COC(=O)c1ccoc1)C(=O)OC
InChIInChI=1S/C14H19NO6/c1-4-9(2)12(14(18)19-3)15-11(16)8-21-13(17)10-5-6-20-7-10/h5-7,9,12H,4,8H2,1-3H3,(H,15,16)
InChIKeyBDSGAGGDYVTMKO-UHFFFAOYSA-N
XLogP1.14
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 9018193
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-chlorobenzoate
CID 18200968
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 18201287
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015974
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate
CID 8842588
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 18201042
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201445
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387151
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 9201670
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491531
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491533
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 9228820

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate?
The IUPAC name of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate (CID 18102825) is [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate.
What is the SMILES notation for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate?
The canonical SMILES for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate is CCC(C)C(NC(=O)COC(=O)c1ccoc1)C(=O)OC.
What is the InChIKey of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate?
The InChIKey is BDSGAGGDYVTMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-4-9(2)12(14(18)19-3)15-11(16)8-21-13(17)10-5-6-20-7-10/h5-7,9,12H,4,8H2,1-3H3,(H,15,16).
What are the key properties of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate?
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate is sourced from PubChem (CID 18102825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).