tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate

C15H25N5O4 — CID 167745406

IUPACtert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate
SMILESCN(C(=O)Nc1ccnn1C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C15H25N5O4/c1-15(2,3)24-14(23)20-8-10(11(21)9-20)18(4)13(22)17-12-6-7-16-19(12)5/h6-7,10-11,21H,8-9H2,1-5H3,(H,17,22)/t10-,11-/m1/s1
InChIKeyMPGNUMJKTVMPMV-GHMZBOCLSA-N
MW339.40 g/mol
LogP0.86
Rot. Bonds2

About tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate

tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate (PubChem CID 167745406) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate
PubChem CID167745406
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Nametert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate
SMILESCN(C(=O)Nc1ccnn1C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C15H25N5O4/c1-15(2,3)24-14(23)20-8-10(11(21)9-20)18(4)13(22)17-12-6-7-16-19(12)5/h6-7,10-11,21H,8-9H2,1-5H3,(H,17,22)/t10-,11-/m1/s1
InChIKeyMPGNUMJKTVMPMV-GHMZBOCLSA-N
XLogP0.86
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
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tert-butyl 3-(2-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
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tert-butyl 3-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
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2-hydroxy-2-methyl-N-(2-methylpyrazol-3-yl)propanamide
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tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate (CID 167745406) is tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate is CN(C(=O)Nc1ccnn1C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O.
What is the InChIKey of tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is MPGNUMJKTVMPMV-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-15(2,3)24-14(23)20-8-10(11(21)9-20)18(4)13(22)17-12-6-7-16-19(12)5/h6-7,10-11,21H,8-9H2,1-5H3,(H,17,22)/t10-,11-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate?
tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpyrazol-3-yl)carbamoyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 167745406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).