[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

C21H22N2O5 — CID 51687840

IUPAC[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)O[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc2occc21
InChIInChI=1S/C21H22N2O5/c1-23-16-9-11-27-18(16)12-17(23)21(25)28-19(14-6-3-2-4-7-14)20(24)22-13-15-8-5-10-26-15/h2-4,6-7,9,11-12,15,19H,5,8,10,13H2,1H3,(H,22,24)/t15-,19-/m0/s1
InChIKeyBQCNDGHRADOJGQ-KXBFYZLASA-N
MW382.42 g/mol
LogP2.96
Rot. Bonds6

About [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 51687840) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID51687840
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)O[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc2occc21
InChIInChI=1S/C21H22N2O5/c1-23-16-9-11-27-18(16)12-17(23)21(25)28-19(14-6-3-2-4-7-14)20(24)22-13-15-8-5-10-26-15/h2-4,6-7,9,11-12,15,19H,5,8,10,13H2,1H3,(H,22,24)/t15-,19-/m0/s1
InChIKeyBQCNDGHRADOJGQ-KXBFYZLASA-N
XLogP2.96
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687841
[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687842
[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate
CID 1470209
[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
CID 1470258
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate
CID 1470028
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
[(2S)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] 3-chloro-1-methylindole-2-carboxylate
CID 94829198
[(2R)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 3-chloro-1-methylindole-2-carboxylate
CID 97311522
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437573

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 51687840) is [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is Cn1c(C(=O)O[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc2occc21.
What is the InChIKey of [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is BQCNDGHRADOJGQ-KXBFYZLASA-N. The full InChI is InChI=1S/C21H22N2O5/c1-23-16-9-11-27-18(16)12-17(23)21(25)28-19(14-6-3-2-4-7-14)20(24)22-13-15-8-5-10-26-15/h2-4,6-7,9,11-12,15,19H,5,8,10,13H2,1H3,(H,22,24)/t15-,19-/m0/s1.
What are the key properties of [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 51687840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).