methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate

C15H21N3O4 — CID 50975210

IUPACmethyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)CN1C
InChIInChI=1S/C15H21N3O4/c1-8-5-9(2)16-13(19)12(8)14(20)17-10-6-11(15(21)22-4)18(3)7-10/h5,10-11H,6-7H2,1-4H3,(H,16,19)(H,17,20)/t10-,11+/m1/s1
InChIKeyRJQBHGFRFDTUCV-MNOVXSKESA-N
MW307.35 g/mol
LogP-0.03
Rot. Bonds3

About methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate

methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate (PubChem CID 50975210) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate
PubChem CID50975210
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namemethyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)CN1C
InChIInChI=1S/C15H21N3O4/c1-8-5-9(2)16-13(19)12(8)14(20)17-10-6-11(15(21)22-4)18(3)7-10/h5,10-11H,6-7H2,1-4H3,(H,16,19)(H,17,20)/t10-,11+/m1/s1
InChIKeyRJQBHGFRFDTUCV-MNOVXSKESA-N
XLogP-0.03
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate with MolForge

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Related Compounds

methyl (2S,4S)-4-({[2-hydroxy-6-(trifluoromethyl)pyridin-3-yl]carbonyl}amino)-1-methylpyrrolidine-2-carboxylate
CID 50977449
methyl (2S,4R)-4-(dimethylamino)-1-[(6-isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]pyrrolidine-2-carboxylate
CID 50963383
N-[(1,2-Dihydro-2-oxo-3-pyridinyl)carbonyl]-L-alanyl-L-proline ethyl ester
CID 9862536
ethyl (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 15679349
ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 15679354
ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 15679356
ethyl (2S)-1-[(2S)-2-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 22854543
methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975131
methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975141
(2S,4R)-1-(3-aminopropanoyl)-4-(cyclohexa-1,5-diene-1-carbonylamino)pyrrolidine-2-carboxylic acid
CID 68203690
methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 69474165
Methyl 1-(2-acetamido-4-methylpent-2-enoyl)pyrrolidine-2-carboxylate
CID 322199

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate (CID 50975210) is methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)CN1C.
What is the InChIKey of methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate?
The InChIKey is RJQBHGFRFDTUCV-MNOVXSKESA-N. The full InChI is InChI=1S/C15H21N3O4/c1-8-5-9(2)16-13(19)12(8)14(20)17-10-6-11(15(21)22-4)18(3)7-10/h5,10-11H,6-7H2,1-4H3,(H,16,19)(H,17,20)/t10-,11+/m1/s1.
What are the key properties of methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate?
methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 50975210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).