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

C19H28N2O2 — CID 103524796

IUPACtert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2ccc(C3CC3)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-11-10-17(13-21)20-12-14-4-6-15(7-5-14)16-8-9-16/h4-7,16-17,20H,8-13H2,1-3H3
InChIKeyIYANGHIHCYSDHQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.66
Rot. Bonds4

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

tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate (PubChem CID 103524796) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate
PubChem CID103524796
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2ccc(C3CC3)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-11-10-17(13-21)20-12-14-4-6-15(7-5-14)16-8-9-16/h4-7,16-17,20H,8-13H2,1-3H3
InChIKeyIYANGHIHCYSDHQ-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(4-methylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960869
tert-butyl (3R)-3-[(3-bromophenyl)methylamino]pyrrolidine-1-carboxylate
CID 96951609
tert-butyl 3-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629688
tert-butyl (3S)-3-[(2-bromo-4-pyridinyl)methylamino]pyrrolidine-1-carboxylate
CID 71629276
tert-butyl 3-[(4-formamidophenyl)methylamino]piperidine-1-carboxylate
CID 168653640
tert-butyl 3-[(3-fluoro-5-hydroxyphenyl)methylamino]pyrrolidine-1-carboxylate
CID 104879100
tert-butyl 3-[(4-azidophenyl)methylamino]piperidine-1-carboxylate
CID 169325405
tert-butyl 4-[(4-chlorophenyl)methylamino]azepane-1-carboxylate
CID 103980818
tert-butyl 3-[(2-fluorophenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960868
tert-butyl 4-[2-(4-cyclopropylphenyl)ethyl]piperidine-1-carboxylate
CID 134385902
tert-butyl 3-[(3,4-dibromophenyl)methylamino]piperidine-1-carboxylate
CID 107241473
tert-butyl 3-[[4-(carbamothioylamino)phenyl]methylamino]piperidine-1-carboxylate
CID 169357708

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate (CID 103524796) is tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCc2ccc(C3CC3)cc2)C1.
What is the InChIKey of tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate?
The InChIKey is IYANGHIHCYSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-11-10-17(13-21)20-12-14-4-6-15(7-5-14)16-8-9-16/h4-7,16-17,20H,8-13H2,1-3H3.
What are the key properties of tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate?
tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate has a molecular weight of 316.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103524796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).