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

C24H29N3O5 — CID 126514448

IUPACmethyl 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)N2CCCC2C(=O)OC)n2c1COCC2)c1ccccc1
InChIInChI=1S/C24H29N3O5/c1-3-18(16-8-5-4-6-9-16)25-22(28)17-14-20(26-12-13-32-15-21(17)26)23(29)27-11-7-10-19(27)24(30)31-2/h4-6,8-9,14,18-19H,3,7,10-13,15H2,1-2H3,(H,25,28)/t18-,19?/m1/s1
InChIKeyIUIXSDJFFHNVAZ-MRTLOADZSA-N
MW439.51 g/mol
LogP2.68
Rot. Bonds6

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

methyl 1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 126514448) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is methyl 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 Namemethyl 1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate
PubChem CID126514448
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Namemethyl 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)N2CCCC2C(=O)OC)n2c1COCC2)c1ccccc1
InChIInChI=1S/C24H29N3O5/c1-3-18(16-8-5-4-6-9-16)25-22(28)17-14-20(26-12-13-32-15-21(17)26)23(29)27-11-7-10-19(27)24(30)31-2/h4-6,8-9,14,18-19H,3,7,10-13,15H2,1-2H3,(H,25,28)/t18-,19?/m1/s1
InChIKeyIUIXSDJFFHNVAZ-MRTLOADZSA-N
XLogP2.68
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696451
6-[2-[hydroxy(phenyl)methyl]pyrrolidine-1-carbonyl]-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 123923490
6-(2,2-dimethylpyrrolidine-1-carbonyl)-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 123314351
methyl 3-[[[8-(1-phenylpropylcarbamoyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]amino]methyl]benzoate
CID 123542135
6-N-[1-(6-methoxy-2-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514686
N-[(1R)-1-(5-chlorothiophen-2-yl)propyl]-6-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 126514499
methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate
CID 78152069
6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[5-(trifluoromethyl)thiophen-2-yl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696324
6-N-[(1R)-1-phenylpropyl]-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71696001
8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123325887
6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 134233399
6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 118946078

Frequently Asked Questions

What is the IUPAC name of methyl 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 methyl 1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate (CID 126514448) is methyl 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 methyl 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 methyl 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)N2CCCC2C(=O)OC)n2c1COCC2)c1ccccc1.
What is the InChIKey of methyl 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 IUIXSDJFFHNVAZ-MRTLOADZSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-3-18(16-8-5-4-6-9-16)25-22(28)17-14-20(26-12-13-32-15-21(17)26)23(29)27-11-7-10-19(27)24(30)31-2/h4-6,8-9,14,18-19H,3,7,10-13,15H2,1-2H3,(H,25,28)/t18-,19?/m1/s1.
What are the key properties of methyl 1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate?
methyl 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 439.51 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 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 126514448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).