6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid

C16H22N2O6 — CID 121377522

IUPAC6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid
SMILESCO[C@@H]1CC[C@@](C)(OC)N1C(=O)c1cc(C(=O)O)c2n1CCOC2
InChIInChI=1S/C16H22N2O6/c1-16(23-3)5-4-13(22-2)18(16)14(19)11-8-10(15(20)21)12-9-24-7-6-17(11)12/h8,13H,4-7,9H2,1-3H3,(H,20,21)/t13-,16-/m1/s1
InChIKeyUUIVFMLKFMEIJU-CZUORRHYSA-N
MW338.36 g/mol
LogP1.29
Rot. Bonds4

About 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid

6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid (PubChem CID 121377522) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid.

Molecular Properties

Compound Name6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid
PubChem CID121377522
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid
SMILESCO[C@@H]1CC[C@@](C)(OC)N1C(=O)c1cc(C(=O)O)c2n1CCOC2
InChIInChI=1S/C16H22N2O6/c1-16(23-3)5-4-13(22-2)18(16)14(19)11-8-10(15(20)21)12-9-24-7-6-17(11)12/h8,13H,4-7,9H2,1-3H3,(H,20,21)/t13-,16-/m1/s1
InChIKeyUUIVFMLKFMEIJU-CZUORRHYSA-N
XLogP1.29
TPSA90.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid with MolForge

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Related Compounds

6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid
CID 118931378
6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid
CID 118931388
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
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-[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-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
(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62932404
6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696454
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
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-(1-pyrimidin-2-ylethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514549
(3-methoxymorpholin-4-yl)-phenylmethanone
CID 15379431
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

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid?
The IUPAC name of 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid (CID 121377522) is 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid.
What is the SMILES notation for 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid?
The canonical SMILES for 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid is CO[C@@H]1CC[C@@](C)(OC)N1C(=O)c1cc(C(=O)O)c2n1CCOC2.
What is the InChIKey of 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid?
The InChIKey is UUIVFMLKFMEIJU-CZUORRHYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-16(23-3)5-4-13(22-2)18(16)14(19)11-8-10(15(20)21)12-9-24-7-6-17(11)12/h8,13H,4-7,9H2,1-3H3,(H,20,21)/t13-,16-/m1/s1.
What are the key properties of 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid?
6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5R)-2,5-dimethoxy-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid is sourced from PubChem (CID 121377522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).