(2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol

C8H17NO3 — CID 130443589

IUPAC(2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol
SMILESCO[C@H]1N[C@@H](C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO3/c1-4(2)5-6(10)7(11)8(9-5)12-3/h4-11H,1-3H3/t5-,6-,7-,8+/m0/s1
InChIKeyOYMIIDGXAUTLDY-DKXJUACHSA-N
MW175.23 g/mol
LogP-0.69
Rot. Bonds2

About (2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol

(2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol (PubChem CID 130443589) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol
PubChem CID130443589
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol
SMILESCO[C@H]1N[C@@H](C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO3/c1-4(2)5-6(10)7(11)8(9-5)12-3/h4-11H,1-3H3/t5-,6-,7-,8+/m0/s1
InChIKeyOYMIIDGXAUTLDY-DKXJUACHSA-N
XLogP-0.69
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol (CID 130443589) is (2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol is CO[C@H]1N[C@@H](C(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol?
The InChIKey is OYMIIDGXAUTLDY-DKXJUACHSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4(2)5-6(10)7(11)8(9-5)12-3/h4-11H,1-3H3/t5-,6-,7-,8+/m0/s1.
What are the key properties of (2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol?
(2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol has a molecular weight of 175.23 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol is sourced from PubChem (CID 130443589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).