tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate

C21H33N3O5 — CID 96519972

IUPACtert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNC(=O)[C@H]1CCCN1C(=O)c1ccco1)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H33N3O5/c1-6-21(7-2,23-19(27)29-20(3,4)5)14-22-17(25)15-10-8-12-24(15)18(26)16-11-9-13-28-16/h9,11,13,15H,6-8,10,12,14H2,1-5H3,(H,22,25)(H,23,27)/t15-/m1/s1
InChIKeyAMAPTEMVDHHKNM-OAHLLOKOSA-N
MW407.51 g/mol
LogP3.08
Rot. Bonds7

About tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate

tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate (PubChem CID 96519972) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate
PubChem CID96519972
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Nametert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNC(=O)[C@H]1CCCN1C(=O)c1ccco1)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H33N3O5/c1-6-21(7-2,23-19(27)29-20(3,4)5)14-22-17(25)15-10-8-12-24(15)18(26)16-11-9-13-28-16/h9,11,13,15H,6-8,10,12,14H2,1-5H3,(H,22,25)(H,23,27)/t15-/m1/s1
InChIKeyAMAPTEMVDHHKNM-OAHLLOKOSA-N
XLogP3.08
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
(2R)-N-[(1-ethylcyclobutyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 97011673
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
1-(furan-2-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 75195661
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 46537587
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate (CID 96519972) is tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate is CCC(CC)(CNC(=O)[C@H]1CCCN1C(=O)c1ccco1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate?
The InChIKey is AMAPTEMVDHHKNM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H33N3O5/c1-6-21(7-2,23-19(27)29-20(3,4)5)14-22-17(25)15-10-8-12-24(15)18(26)16-11-9-13-28-16/h9,11,13,15H,6-8,10,12,14H2,1-5H3,(H,22,25)(H,23,27)/t15-/m1/s1.
What are the key properties of tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate?
tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate has a molecular weight of 407.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate is sourced from PubChem (CID 96519972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).