tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate

C14H20N2O5 — CID 115537650

IUPACtert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H20N2O5/c1-14(2,3)21-13(17)11-5-4-8-15(11)9-10-6-7-12(20-10)16(18)19/h6-7,11H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyJUJFTYHZLQIGNM-LLVKDONJSA-N
MW296.32 g/mol
LogP2.49
Rot. Bonds4

About tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate

tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 115537650) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID115537650
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Nametert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H20N2O5/c1-14(2,3)21-13(17)11-5-4-8-15(11)9-10-6-7-12(20-10)16(18)19/h6-7,11H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyJUJFTYHZLQIGNM-LLVKDONJSA-N
XLogP2.49
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-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

ethyl 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate
CID 62028737
tert-butyl (2R)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80709145
tert-butyl (2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine-2-carboxylate
CID 115537654
2-methyl-2-[1-[(5-nitrofuran-2-yl)methyl]piperidin-3-yl]propanoic acid
CID 83200227
tert-butyl (2R)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 80709993
ethyl 1-[(5-nitrofuran-2-yl)methyl]piperidine-4-carboxylate
CID 791307
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
tert-butyl (2R)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylate
CID 80709054
tert-butyl (2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylate
CID 81002974
tert-butyl 1-[[4-(2-methoxy-2-oxoethoxy)-3-nitrophenyl]methyl]piperidine-2-carboxylate
CID 139991793
tert-butyl (2S)-1-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 80997744
tert-butyl (2R)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115537657

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate (CID 115537650) is tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is JUJFTYHZLQIGNM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-14(2,3)21-13(17)11-5-4-8-15(11)9-10-6-7-12(20-10)16(18)19/h6-7,11H,4-5,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 296.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115537650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).