(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol

C10H19NO3 — CID 103137660

IUPAC(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
SMILESCC1CCC(CN2C[C@@H](O)[C@@H](O)C2)O1
InChIInChI=1S/C10H19NO3/c1-7-2-3-8(14-7)4-11-5-9(12)10(13)6-11/h7-10,12-13H,2-6H2,1H3/t7?,8?,9-,10+
InChIKeyLUAWETDWOPBPNE-OXYCZDQYSA-N
MW201.27 g/mol
LogP-0.41
Rot. Bonds2

About (3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol

(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol (PubChem CID 103137660) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
PubChem CID103137660
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
SMILESCC1CCC(CN2C[C@@H](O)[C@@H](O)C2)O1
InChIInChI=1S/C10H19NO3/c1-7-2-3-8(14-7)4-11-5-9(12)10(13)6-11/h7-10,12-13H,2-6H2,1H3/t7?,8?,9-,10+
InChIKeyLUAWETDWOPBPNE-OXYCZDQYSA-N
XLogP-0.41
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
CID 107225929
1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 103136020
2-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 103137712
4-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidin-4-ol
CID 103137665
4-bromo-3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103140046
2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid
CID 82839087
4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103139885
3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid
CID 82838620
2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103137662
1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide
CID 103134708
1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole
CID 145143851
3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
CID 103141652

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol (CID 103137660) is (3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol is CC1CCC(CN2C[C@@H](O)[C@@H](O)C2)O1.
What is the InChIKey of (3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol?
The InChIKey is LUAWETDWOPBPNE-OXYCZDQYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-2-3-8(14-7)4-11-5-9(12)10(13)6-11/h7-10,12-13H,2-6H2,1H3/t7?,8?,9-,10+.
What are the key properties of (3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol?
(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol has a molecular weight of 201.27 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 103137660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).