tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate

C16H24N2O2 — CID 58315636

IUPACtert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
SMILESCNc1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-13(11-18)12-5-7-14(17-4)8-6-12/h5-8,13,17H,9-11H2,1-4H3
InChIKeyFSAIPWYHCKGZOK-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.45
Rot. Bonds2

About tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate

tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate (PubChem CID 58315636) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
PubChem CID58315636
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
SMILESCNc1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-13(11-18)12-5-7-14(17-4)8-6-12/h5-8,13,17H,9-11H2,1-4H3
InChIKeyFSAIPWYHCKGZOK-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[4-(methylamino)phenyl]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 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl 3-[4-(dimethylamino)phenyl]pyrrolidine-1-carboxylate
CID 151030118
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-1-carboxylate
CID 66705849
tert-butyl (3R)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 175718295
tert-butyl (3S)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 67238679
tert-butyl (3S)-3-(4-isocyanatophenyl)pyrrolidine-1-carboxylate
CID 87320464
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-[4-(2,3-dihydroxypropylamino)phenyl]piperidine-1-carboxylate
CID 168597426
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 146204566
2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]anilino]ethanesulfonic acid
CID 174996743

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate (CID 58315636) is tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate is CNc1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate?
The InChIKey is FSAIPWYHCKGZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-13(11-18)12-5-7-14(17-4)8-6-12/h5-8,13,17H,9-11H2,1-4H3.
What are the key properties of tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58315636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).