tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate

C18H34N2O3 — CID 103275825

IUPACtert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NCC1CCC(O)C1
InChIInChI=1S/C18H34N2O3/c1-13(19-12-14-7-8-16(21)11-14)10-15-6-5-9-20(15)17(22)23-18(2,3)4/h13-16,19,21H,5-12H2,1-4H3
InChIKeyDDKRQQSFWUFYTO-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.92
Rot. Bonds5

About tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate (PubChem CID 103275825) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate
PubChem CID103275825
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NCC1CCC(O)C1
InChIInChI=1S/C18H34N2O3/c1-13(19-12-14-7-8-16(21)11-14)10-15-6-5-9-20(15)17(22)23-18(2,3)4/h13-16,19,21H,5-12H2,1-4H3
InChIKeyDDKRQQSFWUFYTO-UHFFFAOYSA-N
XLogP2.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate
CID 103723631
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)methylamino]propyl]piperidine-1-carboxylate
CID 113248692
tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 103782675
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
CID 113248702
tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
CID 79540794
tert-butyl 2-[2-(1-cyclopropylpropan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244471
tert-butyl 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]propyl]pyrrolidine-1-carboxylate
CID 103723580
tert-butyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103823099
tert-butyl 2-[2-[(4-amino-4-oxobutyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723630
tert-butyl 2-[2-(2-ethoxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 103823087
tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 104864578

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate (CID 103275825) is tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate is CC(CC1CCCN1C(=O)OC(C)(C)C)NCC1CCC(O)C1.
What is the InChIKey of tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate?
The InChIKey is DDKRQQSFWUFYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-13(19-12-14-7-8-16(21)11-14)10-15-6-5-9-20(15)17(22)23-18(2,3)4/h13-16,19,21H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103275825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).