propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate

C26H33N3O5 — CID 71695621

IUPACpropan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate
SMILESCC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)OC(C)C)n2c1COCC2)c1ccccc1
InChIInChI=1S/C26H33N3O5/c1-4-20(18-9-6-5-7-10-18)27-24(30)19-15-22(28-13-14-33-16-23(19)28)25(31)29-12-8-11-21(29)26(32)34-17(2)3/h5-7,9-10,15,17,20-21H,4,8,11-14,16H2,1-3H3,(H,27,30)/t20-,21-/m1/s1
InChIKeyJYNQLLDNMKYGLY-NHCUHLMSSA-N
MW467.57 g/mol
LogP3.46
Rot. Bonds7

About propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate

propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 71695621) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate
PubChem CID71695621
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Namepropan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate
SMILESCC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)OC(C)C)n2c1COCC2)c1ccccc1
InChIInChI=1S/C26H33N3O5/c1-4-20(18-9-6-5-7-10-18)27-24(30)19-15-22(28-13-14-33-16-23(19)28)25(31)29-12-8-11-21(29)26(32)34-17(2)3/h5-7,9-10,15,17,20-21H,4,8,11-14,16H2,1-3H3,(H,27,30)/t20-,21-/m1/s1
InChIKeyJYNQLLDNMKYGLY-NHCUHLMSSA-N
XLogP3.46
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate (CID 71695621) is propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate is CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)OC(C)C)n2c1COCC2)c1ccccc1.
What is the InChIKey of propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is JYNQLLDNMKYGLY-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-4-20(18-9-6-5-7-10-18)27-24(30)19-15-22(28-13-14-33-16-23(19)28)25(31)29-12-8-11-21(29)26(32)34-17(2)3/h5-7,9-10,15,17,20-21H,4,8,11-14,16H2,1-3H3,(H,27,30)/t20-,21-/m1/s1.
What are the key properties of propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate?
propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 467.57 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 71695621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).