tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate

C14H22N2O3 — CID 76520777

IUPACtert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CN)C(c2ccoc2)C1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-7-11(6-15)12(8-16)10-4-5-18-9-10/h4-5,9,11-12H,6-8,15H2,1-3H3
InChIKeyFTRVUAJMHFEQHB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.19
Rot. Bonds2

About tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate (PubChem CID 76520777) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate
PubChem CID76520777
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CN)C(c2ccoc2)C1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-7-11(6-15)12(8-16)10-4-5-18-9-10/h4-5,9,11-12H,6-8,15H2,1-3H3
InChIKeyFTRVUAJMHFEQHB-UHFFFAOYSA-N
XLogP2.19
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(aminomethyl)-4-(furan-3-yl)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 (3R,4S)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate
CID 98008226
tert-butyl (3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate;hydrochloride
CID 66510823
tert-butyl 3-(aminomethyl)-4-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 76520753
tert-butyl (3R,4R)-3-(aminomethyl)-4-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 57364946
tert-butyl (3R,4R)-3-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylate
CID 57364947
tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 59674744
tert-butyl (3R,4R)-3-(aminomethyl)-4-(2,5-dichlorophenyl)pyrrolidine-1-carboxylate
CID 57364943
tert-butyl (3R,4R)-3-(aminomethyl)-4-(2-chlorophenyl)pyrrolidine-1-carboxylate
CID 57364966
tert-butyl (3S,4S)-3-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylate
CID 57365020
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-3-yl)methanone
CID 120745387
tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
CID 131227560
tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate
CID 69225070

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate (CID 76520777) is tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CN)C(c2ccoc2)C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is FTRVUAJMHFEQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-7-11(6-15)12(8-16)10-4-5-18-9-10/h4-5,9,11-12H,6-8,15H2,1-3H3.
What are the key properties of tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 76520777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).