methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate

C16H25N5O4 — CID 98878498

IUPACmethyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate
SMILESCOC(=O)c1cn([C@@H]2CCN([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1
InChIInChI=1S/C16H25N5O4/c1-11(15(22)17-8-13-4-3-7-25-13)20-6-5-12(9-20)21-10-14(18-19-21)16(23)24-2/h10-13H,3-9H2,1-2H3,(H,17,22)/t11-,12-,13+/m1/s1
InChIKeySJCNHNGMIXUCCU-UPJWGTAASA-N
MW351.41 g/mol
LogP-0.00
Rot. Bonds6

About methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate

methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate (PubChem CID 98878498) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate
PubChem CID98878498
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC Namemethyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate
SMILESCOC(=O)c1cn([C@@H]2CCN([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1
InChIInChI=1S/C16H25N5O4/c1-11(15(22)17-8-13-4-3-7-25-13)20-6-5-12(9-20)21-10-14(18-19-21)16(23)24-2/h10-13H,3-9H2,1-2H3,(H,17,22)/t11-,12-,13+/m1/s1
InChIKeySJCNHNGMIXUCCU-UPJWGTAASA-N
XLogP-0.00
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea
CID 146091310
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide
CID 124886784
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95350961
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124621251
methyl 1-[(3S)-1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-3-yl]triazole-4-carboxylate
CID 124732864
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 71928117
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate (CID 98878498) is methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate is COC(=O)c1cn([C@@H]2CCN([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1.
What is the InChIKey of methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate?
The InChIKey is SJCNHNGMIXUCCU-UPJWGTAASA-N. The full InChI is InChI=1S/C16H25N5O4/c1-11(15(22)17-8-13-4-3-7-25-13)20-6-5-12(9-20)21-10-14(18-19-21)16(23)24-2/h10-13H,3-9H2,1-2H3,(H,17,22)/t11-,12-,13+/m1/s1.
What are the key properties of methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate?
methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate has a molecular weight of 351.41 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate is sourced from PubChem (CID 98878498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).