(3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol

C9H20N2O2 — CID 130857921

IUPAC(3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol
SMILESCN(CC(C)(C)O)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C9H20N2O2/c1-9(2,13)6-11(3)7-4-10-5-8(7)12/h7-8,10,12-13H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyKGUIOYVYZQUQIR-HTQZYQBOSA-N
MW188.27 g/mol
LogP-0.98
Rot. Bonds3

About (3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol

(3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol (PubChem CID 130857921) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol
PubChem CID130857921
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol
SMILESCN(CC(C)(C)O)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C9H20N2O2/c1-9(2,13)6-11(3)7-4-10-5-8(7)12/h7-8,10,12-13H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyKGUIOYVYZQUQIR-HTQZYQBOSA-N
XLogP-0.98
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol
CID 104954571
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
CID 156809597
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
N-(2,2-dimethylpropyl)-N,4-dimethylpyrrolidin-3-amine
CID 81459485
4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
CID 65487607
4-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrrolidin-3-ol
CID 63702905
(3S,4R)-4-(diethylamino)pyrrolidin-3-ol
CID 129371186
(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol
CID 122236959
4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
CID 63704215
4-[furan-3-ylmethyl(methyl)amino]pyrrolidin-3-ol
CID 63702901
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide
CID 103021356

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol (CID 130857921) is (3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol is CN(CC(C)(C)O)[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol?
The InChIKey is KGUIOYVYZQUQIR-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,13)6-11(3)7-4-10-5-8(7)12/h7-8,10,12-13H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol?
(3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol has a molecular weight of 188.27 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol is sourced from PubChem (CID 130857921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).