(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol

C10H20N2O3 — CID 115278442

IUPAC(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
SMILESCN1CCOC(CN2C[C@@H](O)[C@@H](O)C2)C1
InChIInChI=1S/C10H20N2O3/c1-11-2-3-15-8(4-11)5-12-6-9(13)10(14)7-12/h8-10,13-14H,2-7H2,1H3/t8?,9-,10+
InChIKeyXJOXPJPUPGPPKF-PBINXNQUSA-N
MW216.28 g/mol
LogP-1.65
Rot. Bonds2

About (3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol

(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol (PubChem CID 115278442) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
PubChem CID115278442
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
SMILESCN1CCOC(CN2C[C@@H](O)[C@@H](O)C2)C1
InChIInChI=1S/C10H20N2O3/c1-11-2-3-15-8(4-11)5-12-6-9(13)10(14)7-12/h8-10,13-14H,2-7H2,1H3/t8?,9-,10+
InChIKeyXJOXPJPUPGPPKF-PBINXNQUSA-N
XLogP-1.65
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775
2-(bromomethyl)-6-methyl-4-[(4-methylmorpholin-2-yl)methyl]morpholine
CID 102936850
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-3-yl]ethanol
CID 112734129
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182827
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-4-yl]ethanamine
CID 79172349
methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate
CID 78945334
4-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 54379759
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine
CID 115314333
4-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-one
CID 79071600
2-[1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339594

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol (CID 115278442) is (3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol is CN1CCOC(CN2C[C@@H](O)[C@@H](O)C2)C1.
What is the InChIKey of (3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol?
The InChIKey is XJOXPJPUPGPPKF-PBINXNQUSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-11-2-3-15-8(4-11)5-12-6-9(13)10(14)7-12/h8-10,13-14H,2-7H2,1H3/t8?,9-,10+.
What are the key properties of (3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol?
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol has a molecular weight of 216.28 g/mol, XLogP of -1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 115278442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).