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[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

C20H22N2O6 — CID 2605528

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H22N2O6/c1-13-6-7-14(10-16(13)22-19(24)17-5-3-9-27-17)20(25)28-12-18(23)21-11-15-4-2-8-26-15/h3,5-7,9-10,15H,2,4,8,11-12H2,1H3,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyALTNNKUGVRLVJE-HNNXBMFYSA-N
MW386.40 g/mol
LogP2.29
Rot. Bonds7

About [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 2605528) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID2605528
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H22N2O6/c1-13-6-7-14(10-16(13)22-19(24)17-5-3-9-27-17)20(25)28-12-18(23)21-11-15-4-2-8-26-15/h3,5-7,9-10,15H,2,4,8,11-12H2,1H3,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyALTNNKUGVRLVJE-HNNXBMFYSA-N
XLogP2.29
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 2605528) is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1ccco1.
What is the InChIKey of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is ALTNNKUGVRLVJE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-13-6-7-14(10-16(13)22-19(24)17-5-3-9-27-17)20(25)28-12-18(23)21-11-15-4-2-8-26-15/h3,5-7,9-10,15H,2,4,8,11-12H2,1H3,(H,21,23)(H,22,24)/t15-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 386.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 2605528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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