[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate

C22H23NO5 — CID 7717571

IUPAC[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)OC(=O)C1CCCC1)oc1ccccc12
InChIInChI=1S/C22H23NO5/c1-13(27-22(25)14-7-3-4-8-14)21(24)23-17-12-19-16(11-20(17)26-2)15-9-5-6-10-18(15)28-19/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeySGHUHIPORUUDEN-ZDUSSCGKSA-N
MW381.43 g/mol
LogP4.66
Rot. Bonds5

About [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate

[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate (PubChem CID 7717571) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
PubChem CID7717571
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)OC(=O)C1CCCC1)oc1ccccc12
InChIInChI=1S/C22H23NO5/c1-13(27-22(25)14-7-3-4-8-14)21(24)23-17-12-19-16(11-20(17)26-2)15-9-5-6-10-18(15)28-19/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeySGHUHIPORUUDEN-ZDUSSCGKSA-N
XLogP4.66
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate with MolForge

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Related Compounds

[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 4833196
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 4802218
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-(2-methylphenyl)acetate
CID 7489192
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 7890835
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783804
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 41152870
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate?
The IUPAC name of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate (CID 7717571) is [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate.
What is the SMILES notation for [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate?
The canonical SMILES for [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate is COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)C1CCCC1)oc1ccccc12.
What is the InChIKey of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate?
The InChIKey is SGHUHIPORUUDEN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H23NO5/c1-13(27-22(25)14-7-3-4-8-14)21(24)23-17-12-19-16(11-20(17)26-2)15-9-5-6-10-18(15)28-19/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,23,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate?
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate has a molecular weight of 381.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate is sourced from PubChem (CID 7717571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).