tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate

C17H27N3O4 — CID 96516592

IUPACtert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate
SMILESCCN(Cc1ccoc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H27N3O4/c1-5-19(10-13-7-9-23-12-13)15(21)18-14-6-8-20(11-14)16(22)24-17(2,3)4/h7,9,12,14H,5-6,8,10-11H2,1-4H3,(H,18,21)/t14-/m1/s1
InChIKeyGLNWKBDMBPHPOP-CQSZACIVSA-N
MW337.42 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate (PubChem CID 96516592) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate
PubChem CID96516592
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate
SMILESCCN(Cc1ccoc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H27N3O4/c1-5-19(10-13-7-9-23-12-13)15(21)18-14-6-8-20(11-14)16(22)24-17(2,3)4/h7,9,12,14H,5-6,8,10-11H2,1-4H3,(H,18,21)/t14-/m1/s1
InChIKeyGLNWKBDMBPHPOP-CQSZACIVSA-N
XLogP2.82
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]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 (3S)-3-(dimethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 129379096
tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092663
tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
CID 126812951
tert-butyl (3S)-3-[(2,5-dihydroxypyrrol-1-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 90886910
tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane
CID 145162230
tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate
CID 171505314
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate
CID 103778464
tert-butyl 3-[(4-methylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960869
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate (CID 96516592) is tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate is CCN(Cc1ccoc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is GLNWKBDMBPHPOP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-5-19(10-13-7-9-23-12-13)15(21)18-14-6-8-20(11-14)16(22)24-17(2,3)4/h7,9,12,14H,5-6,8,10-11H2,1-4H3,(H,18,21)/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 96516592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).