tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate

C11H22N2O3 — CID 105488235

IUPACtert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCN(O)CC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-9(8-13)7-12(4)15/h9,15H,5-8H2,1-4H3
InChIKeyYTHIVSQAOODERF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.56
Rot. Bonds2

About tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 105488235) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
PubChem CID105488235
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCN(O)CC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-9(8-13)7-12(4)15/h9,15H,5-8H2,1-4H3
InChIKeyYTHIVSQAOODERF-UHFFFAOYSA-N
XLogP1.56
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[(2-aminoacetyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66563919
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl (3S)-3-[[[(2S)-2-aminopropanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 96552158
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl (3S)-3-[[(2-aminoacetyl)-ethylamino]methyl]pyrrolidine-1-carboxylate
CID 96552056
tert-butyl 3-[[di(nonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 129286225
tert-butyl (3S)-3-[[[(2S)-2-amino-3-methylbutanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 96552212
tert-butyl 3-[[[(2S)-2-amino-3-methylbutanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564169

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate (CID 105488235) is tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate is CN(O)CC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is YTHIVSQAOODERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-9(8-13)7-12(4)15/h9,15H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 105488235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).