formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate

C19H29N3O6 — CID 171712825

IUPACformic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](CNC(=O)CCn2c(C)cccc2=O)N1C.O=CO
InChIInChI=1S/C18H27N3O4.CH2O2/c1-13-5-4-6-17(23)21(13)10-9-16(22)19-12-15-8-7-14(20(15)2)11-18(24)25-3;2-1-3/h4-6,14-15H,7-12H2,1-3H3,(H,19,22);1H,(H,2,3)/t14-,15+;/m1./s1
InChIKeyMTMGMUWCIXIRMD-LIOBNPLQSA-N
MW395.46 g/mol
LogP0.39
Rot. Bonds7

About formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate

formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate (PubChem CID 171712825) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameformic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate
PubChem CID171712825
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Nameformic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](CNC(=O)CCn2c(C)cccc2=O)N1C.O=CO
InChIInChI=1S/C18H27N3O4.CH2O2/c1-13-5-4-6-17(23)21(13)10-9-16(22)19-12-15-8-7-14(20(15)2)11-18(24)25-3;2-1-3/h4-6,14-15H,7-12H2,1-3H3,(H,19,22);1H,(H,2,3)/t14-,15+;/m1./s1
InChIKeyMTMGMUWCIXIRMD-LIOBNPLQSA-N
XLogP0.39
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 125439672
methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate
CID 60875653
formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate
CID 172910035
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 97192487
methyl 2-[(2R,5S)-5-[[[2-(2-fluorophenyl)benzoyl]amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 165421380
2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 82031244
N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 74248825
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 126441731
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 126441730
methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 165425398
N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 74230940
formic acid;methyl 2-[(2R,5S)-5-[[[4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carbonyl]amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 171707065

Frequently Asked Questions

What is the IUPAC name of formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate?
The IUPAC name of formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate (CID 171712825) is formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate.
What is the SMILES notation for formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate?
The canonical SMILES for formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate is COC(=O)C[C@H]1CC[C@@H](CNC(=O)CCn2c(C)cccc2=O)N1C.O=CO.
What is the InChIKey of formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate?
The InChIKey is MTMGMUWCIXIRMD-LIOBNPLQSA-N. The full InChI is InChI=1S/C18H27N3O4.CH2O2/c1-13-5-4-6-17(23)21(13)10-9-16(22)19-12-15-8-7-14(20(15)2)11-18(24)25-3;2-1-3/h4-6,14-15H,7-12H2,1-3H3,(H,19,22);1H,(H,2,3)/t14-,15+;/m1./s1.
What are the key properties of formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate?
formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate has a molecular weight of 395.46 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 171712825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).