1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol

C10H22N2O2 — CID 106673574

IUPAC1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol
SMILESCC(C)(C)NCCN1CC(O)C(O)C1
InChIInChI=1S/C10H22N2O2/c1-10(2,3)11-4-5-12-6-8(13)9(14)7-12/h8-9,11,13-14H,4-7H2,1-3H3
InChIKeyGFZMIFWEALDTNV-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.59
Rot. Bonds3

About 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol

1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol (PubChem CID 106673574) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol
PubChem CID106673574
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol
SMILESCC(C)(C)NCCN1CC(O)C(O)C1
InChIInChI=1S/C10H22N2O2/c1-10(2,3)11-4-5-12-6-8(13)9(14)7-12/h8-9,11,13-14H,4-7H2,1-3H3
InChIKeyGFZMIFWEALDTNV-UHFFFAOYSA-N
XLogP-0.59
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol 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

(3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol
CID 11298044
(3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diol
CID 11321023
(3R,4R)-4-[(2-hydroxyethyl)(methyl)amino]pyrrolidin-3-ol
CID 15069975
1-(4-Amino-butyl)-pyrrolidine-3,4-diol
CID 18550590
1-[3-Methyl-2-(methylamino)butyl]pyrrolidin-3-ol
CID 19002746
1-[3-Methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol
CID 19440010
4-[2-Hydroxyethyl(methyl)amino]pyrrolidin-3-ol
CID 19969850
1-Ethyl-4-(methylamino)pyrrolidin-3-ol
CID 20288305
3-[(2-Amino-3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 21323848
(3S)-1-[(2S)-3-Methyl-2-(methylamino)butyl]pyrrolidin-3-ol
CID 22857722
(3S,4S)-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol
CID 53800300
(3S,4S)-4-(2-hydroxyethylamino)-1-methylpyrrolidin-3-ol
CID 53852485

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol (CID 106673574) is 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol is CC(C)(C)NCCN1CC(O)C(O)C1.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol?
The InChIKey is GFZMIFWEALDTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)11-4-5-12-6-8(13)9(14)7-12/h8-9,11,13-14H,4-7H2,1-3H3.
What are the key properties of 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol?
1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol has a molecular weight of 202.30 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106673574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).