tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate

C23H32N2O2 — CID 169209530

IUPACtert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate
SMILESCc1cc(C2CC2)c(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccn(C)c12
InChIInChI=1S/C23H32N2O2/c1-15-12-19(17-6-7-17)20(18-9-10-24(5)21(15)18)13-16-8-11-25(14-16)22(26)27-23(2,3)4/h9-10,12,16-17H,6-8,11,13-14H2,1-5H3/t16-/m1/s1
InChIKeyQJGUCHPSAGFIJE-MRXNPFEDSA-N
MW368.52 g/mol
LogP5.16
Rot. Bonds3

About tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 169209530) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID169209530
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Nametert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate
SMILESCc1cc(C2CC2)c(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccn(C)c12
InChIInChI=1S/C23H32N2O2/c1-15-12-19(17-6-7-17)20(18-9-10-24(5)21(15)18)13-16-8-11-25(14-16)22(26)27-23(2,3)4/h9-10,12,16-17H,6-8,11,13-14H2,1-5H3/t16-/m1/s1
InChIKeyQJGUCHPSAGFIJE-MRXNPFEDSA-N
XLogP5.16
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
tert-butyl 5,7-dimethyl-4-[[(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]piperidin-4-yl]methyl]indole-1-carboxylate
CID 169209688
[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]phenyl]boronic acid
CID 67451416
tert-butyl (3S)-3-[(5-chloro-4-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 157407419
tert-butyl 3-[[(1-methylpyrrol-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 75503515
tert-butyl 3-[(5,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 159206233
tert-butyl 3-[(3-aminophenyl)methyl]pyrrolidine-1-carboxylate
CID 45074451
tert-butyl (3R)-3-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxylate
CID 71006943
tert-butyl 7-methyl-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]indole-1-carboxylate
CID 176569942
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-1-carboxylate
CID 169498563
tert-butyl 3-[(2-methylphenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902814

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate (CID 169209530) is tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate is Cc1cc(C2CC2)c(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccn(C)c12.
What is the InChIKey of tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is QJGUCHPSAGFIJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-15-12-19(17-6-7-17)20(18-9-10-24(5)21(15)18)13-16-8-11-25(14-16)22(26)27-23(2,3)4/h9-10,12,16-17H,6-8,11,13-14H2,1-5H3/t16-/m1/s1.
What are the key properties of tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 368.52 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(5-cyclopropyl-1,7-dimethylindol-4-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 169209530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).