tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate

C17H31N3O3 — CID 124734232

IUPACtert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(=O)N[C@@H]1CCCN(C[C@H]2CCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H31N3O3/c1-13(21)18-14-7-5-9-19(11-14)12-15-8-6-10-20(15)16(22)23-17(2,3)4/h14-15H,5-12H2,1-4H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyLZIGRJLGGFHLGZ-HUUCEWRRSA-N
MW325.45 g/mol
LogP1.99
Rot. Bonds3

About tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 124734232) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID124734232
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Nametert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(=O)N[C@@H]1CCCN(C[C@H]2CCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H31N3O3/c1-13(21)18-14-7-5-9-19(11-14)12-15-8-6-10-20(15)16(22)23-17(2,3)4/h14-15H,5-12H2,1-4H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyLZIGRJLGGFHLGZ-HUUCEWRRSA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[[3-(aminomethyl)piperidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 66940498
tert-butyl 2-[(3-acetamidopyrrolidin-1-yl)methyl]-4,4-dimethylpyrrolidine-1-carboxylate
CID 138014204
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl (2R)-2-[(6-methyl-1,1-dioxo-1,4-thiazepan-4-yl)methyl]pyrrolidine-1-carboxylate
CID 126829237
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244337
tert-butyl (2S)-2-[[4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 99780636
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate
CID 114293374

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate (CID 124734232) is tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate is CC(=O)N[C@@H]1CCCN(C[C@H]2CCCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is LZIGRJLGGFHLGZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-13(21)18-14-7-5-9-19(11-14)12-15-8-6-10-20(15)16(22)23-17(2,3)4/h14-15H,5-12H2,1-4H3,(H,18,21)/t14-,15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 124734232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).