[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

C19H22N2O5 — CID 2652525

IUPAC[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESCC(C)[C@H](C)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C19H22N2O5/c1-12(2)13(3)20-17(22)11-26-19(24)14-7-4-5-8-15(14)21-18(23)16-9-6-10-25-16/h4-10,12-13H,11H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyCTSQRXIWGSQNTD-ZDUSSCGKSA-N
MW358.39 g/mol
LogP2.85
Rot. Bonds7

About [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 2652525) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
PubChem CID2652525
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESCC(C)[C@H](C)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C19H22N2O5/c1-12(2)13(3)20-17(22)11-26-19(24)14-7-4-5-8-15(14)21-18(23)16-9-6-10-25-16/h4-10,12-13H,11H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyCTSQRXIWGSQNTD-ZDUSSCGKSA-N
XLogP2.85
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate with MolForge

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Related Compounds

[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2601161
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 7428538
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
CID 7857667
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440371
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2116610
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 9139731
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (CID 2652525) is [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is CC(C)[C@H](C)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is CTSQRXIWGSQNTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12(2)13(3)20-17(22)11-26-19(24)14-7-4-5-8-15(14)21-18(23)16-9-6-10-25-16/h4-10,12-13H,11H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate has a molecular weight of 358.39 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 2652525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).