[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate

C15H23NO4 — CID 3220214

IUPAC[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate
SMILESCC(C)CC(OC(=O)c1ccco1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23NO4/c1-10(2)9-12(13(17)16-15(3,4)5)20-14(18)11-7-6-8-19-11/h6-8,10,12H,9H2,1-5H3,(H,16,17)
InChIKeyLFCPADBZNVBLKP-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.77
Rot. Bonds5

About [1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate

[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate (PubChem CID 3220214) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is [1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate
PubChem CID3220214
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate
SMILESCC(C)CC(OC(=O)c1ccco1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23NO4/c1-10(2)9-12(13(17)16-15(3,4)5)20-14(18)11-7-6-8-19-11/h6-8,10,12H,9H2,1-5H3,(H,16,17)
InChIKeyLFCPADBZNVBLKP-UHFFFAOYSA-N
XLogP2.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-chloro-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate
CID 54238781
[(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7406844
methane;propan-2-yl furan-2-carboxylate
CID 157166715
[1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl] benzoate
CID 12794722
sodium (2S,5R,6R)-6-[[(2R)-2-(furan-2-carbonyloxy)-4-methylpentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 46835904
[1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate
CID 3220216
[(2S)-1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409282
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 647241
N-[1-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 103933551
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 18080365
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxobutan-2-yl] furan-2-carboxylate
CID 1470024

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate?
The IUPAC name of [1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate (CID 3220214) is [1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate?
The canonical SMILES for [1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate is CC(C)CC(OC(=O)c1ccco1)C(=O)NC(C)(C)C.
What is the InChIKey of [1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate?
The InChIKey is LFCPADBZNVBLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10(2)9-12(13(17)16-15(3,4)5)20-14(18)11-7-6-8-19-11/h6-8,10,12H,9H2,1-5H3,(H,16,17).
What are the key properties of [1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate?
[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 3220214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).