tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate

C19H25N3O3 — CID 96548725

IUPACtert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)25-18(24)20-11-13-8-9-22(12-13)17(23)16-10-14-6-4-5-7-15(14)21-16/h4-7,10,13,21H,8-9,11-12H2,1-3H3,(H,20,24)/t13-/m1/s1
InChIKeyXFDNWZJVQGABLS-CYBMUJFWSA-N
MW343.43 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate

tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate (PubChem CID 96548725) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
PubChem CID96548725
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nametert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)25-18(24)20-11-13-8-9-22(12-13)17(23)16-10-14-6-4-5-7-15(14)21-16/h4-7,10,13,21H,8-9,11-12H2,1-3H3,(H,20,24)/t13-/m1/s1
InChIKeyXFDNWZJVQGABLS-CYBMUJFWSA-N
XLogP3.15
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate with MolForge

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Related Compounds

1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate
CID 52761217
methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
CID 42571173
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 97174609
tert-butyl N-[[(3R)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]methyl]carbamate
CID 96548737
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
CID 170984745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate (CID 96548725) is tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is XFDNWZJVQGABLS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,3)25-18(24)20-11-13-8-9-22(12-13)17(23)16-10-14-6-4-5-7-15(14)21-16/h4-7,10,13,21H,8-9,11-12H2,1-3H3,(H,20,24)/t13-/m1/s1.
What are the key properties of tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 343.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 96548725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).