tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate

C14H24N4O2 — CID 175594772

IUPACtert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate
SMILESCc1ccnn1C[C@H]1CC(N)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N4O2/c1-10-5-6-16-18(10)9-12-7-11(15)8-17(12)13(19)20-14(2,3)4/h5-6,11-12H,7-9,15H2,1-4H3/t11?,12-/m1/s1
InChIKeyJCWZPQWFMTXCJF-PIJUOVFKSA-N
MW280.37 g/mol
LogP1.53
Rot. Bonds2

About tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 175594772) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID175594772
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate
SMILESCc1ccnn1C[C@H]1CC(N)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N4O2/c1-10-5-6-16-18(10)9-12-7-11(15)8-17(12)13(19)20-14(2,3)4/h5-6,11-12H,7-9,15H2,1-4H3/t11?,12-/m1/s1
InChIKeyJCWZPQWFMTXCJF-PIJUOVFKSA-N
XLogP1.53
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-amino-2-[(3-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 175594788
tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 131124333
tert-butyl (2S,4R)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 69332987
tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate
CID 168909309
tert-butyl (2R,4S)-4-amino-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 124662507
tert-butyl (2S,4S)-4-amino-2-[(2,4-dichlorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 142326148
tert-butyl (2S,4S)-4-amino-2-[[4-[(dimethylamino)methyl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 142325511
tert-butyl 4-amino-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 117045380
tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane
CID 144996243
tert-butyl (2S,4S)-4-amino-2-[(4-methoxycarbonylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 58778520
tert-butyl (2S,4S)-4-amino-2-carbamoylpyrrolidine-1-carboxylate
CID 21308807
tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 178182927

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate (CID 175594772) is tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate is Cc1ccnn1C[C@H]1CC(N)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is JCWZPQWFMTXCJF-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-5-6-16-18(10)9-12-7-11(15)8-17(12)13(19)20-14(2,3)4/h5-6,11-12H,7-9,15H2,1-4H3/t11?,12-/m1/s1.
What are the key properties of tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 175594772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).