methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate

C25H30FN3O5 — CID 71696590

IUPACmethyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n2c1COCC2
InChIInChI=1S/C25H30FN3O5/c1-15(2)22(16-6-8-17(26)9-7-16)27-23(30)20-13-18(21-14-34-12-11-28(20)21)24(31)29-10-4-5-19(29)25(32)33-3/h6-9,13,15,19,22H,4-5,10-12,14H2,1-3H3,(H,27,30)/t19-,22-/m1/s1
InChIKeyOUDMNRXDROKPJS-DENIHFKCSA-N
MW471.53 g/mol
LogP3.06
Rot. Bonds6

About methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate

methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 71696590) has the molecular formula C25H30FN3O5 and a molecular weight of 471.53 g/mol. Its IUPAC name is methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate
PubChem CID71696590
Molecular FormulaC25H30FN3O5
Molecular Weight471.53 g/mol
Exact Mass471.22
IUPAC Namemethyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n2c1COCC2
InChIInChI=1S/C25H30FN3O5/c1-15(2)22(16-6-8-17(26)9-7-16)27-23(30)20-13-18(21-14-34-12-11-28(20)21)24(31)29-10-4-5-19(29)25(32)33-3/h6-9,13,15,19,22H,4-5,10-12,14H2,1-3H3,(H,27,30)/t19-,22-/m1/s1
InChIKeyOUDMNRXDROKPJS-DENIHFKCSA-N
XLogP3.06
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

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CID 3235591
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CID 3240286
CID 3240286
CID 3241957
CID 3241957
CID 4165367
CID 4165367
CID 5061395
CID 5061395
CID 5061398
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CID 24794138
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CID 71660508
CID 71660508
CID 71695618
CID 71695618

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate (CID 71696590) is methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n2c1COCC2.
What is the InChIKey of methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is OUDMNRXDROKPJS-DENIHFKCSA-N. The full InChI is InChI=1S/C25H30FN3O5/c1-15(2)22(16-6-8-17(26)9-7-16)27-23(30)20-13-18(21-14-34-12-11-28(20)21)24(31)29-10-4-5-19(29)25(32)33-3/h6-9,13,15,19,22H,4-5,10-12,14H2,1-3H3,(H,27,30)/t19-,22-/m1/s1.
What are the key properties of methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate?
methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 471.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 71696590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).