tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate

C15H30N2O3 — CID 79540136

IUPACtert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
SMILESCC(O)CNC(C)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-11(16-10-12(2)18)9-13-7-6-8-17(13)14(19)20-15(3,4)5/h11-13,16,18H,6-10H2,1-5H3
InChIKeyMQHXKTSUWXAWIK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.13
Rot. Bonds5

About tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate (PubChem CID 79540136) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
PubChem CID79540136
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
SMILESCC(O)CNC(C)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-11(16-10-12(2)18)9-13-7-6-8-17(13)14(19)20-15(3,4)5/h11-13,16,18H,6-10H2,1-5H3
InChIKeyMQHXKTSUWXAWIK-UHFFFAOYSA-N
XLogP2.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[2-(2-hydroxypropylamino)propyl]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 2-[2-(2-ethoxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 103823087
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
CID 79540794
tert-butyl 2-[(2-hydroxypropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636931
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-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 104864578
tert-butyl 2-[2-(2-ethoxyethylamino)propyl]pyrrolidine-1-carboxylate
CID 79537441
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
tert-butyl 2-[2-[(1-hydroxycyclohexyl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 113248612

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate (CID 79540136) is tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate is CC(O)CNC(C)CC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate?
The InChIKey is MQHXKTSUWXAWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(16-10-12(2)18)9-13-7-6-8-17(13)14(19)20-15(3,4)5/h11-13,16,18H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 2.13, 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-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 79540136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).