(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol

C10H21NO3 — CID 151920870

IUPAC(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol
SMILESCCCCC(CO)N1C[C@@H](O)[C@H](O)C1
InChIInChI=1S/C10H21NO3/c1-2-3-4-8(7-12)11-5-9(13)10(14)6-11/h8-10,12-14H,2-7H2,1H3/t8?,9-,10-/m1/s1
InChIKeySWSVEZMTKIIWHW-VXRWAFEHSA-N
MW203.28 g/mol
LogP-0.43
Rot. Bonds5

About (3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol

(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol (PubChem CID 151920870) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol
PubChem CID151920870
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol
SMILESCCCCC(CO)N1C[C@@H](O)[C@H](O)C1
InChIInChI=1S/C10H21NO3/c1-2-3-4-8(7-12)11-5-9(13)10(14)6-11/h8-10,12-14H,2-7H2,1H3/t8?,9-,10-/m1/s1
InChIKeySWSVEZMTKIIWHW-VXRWAFEHSA-N
XLogP-0.43
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1-(1-hydroxyhexan-2-yl)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

1-pentan-3-ylpyrrolidine-3,4-diol
CID 106672556
2-(1,4-diazepan-1-yl)hexan-1-ol
CID 61352767
2-(1,2,4-triazol-1-yl)hexan-1-ol
CID 174516821
(2S)-2-(3-propylazetidin-1-yl)butan-1-ol
CID 107861581
(2R)-2-(3-methylazetidin-1-yl)butan-1-ol
CID 107861648
7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol
CID 142005790
2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
CID 174900137
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane
CID 170315477
3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane
CID 167202044
(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700
2-(4-methylpiperazin-1-yl)pentane-1,5-diol
CID 123489935

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol?
The IUPAC name of (3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol (CID 151920870) is (3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol is CCCCC(CO)N1C[C@@H](O)[C@H](O)C1.
What is the InChIKey of (3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol?
The InChIKey is SWSVEZMTKIIWHW-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-3-4-8(7-12)11-5-9(13)10(14)6-11/h8-10,12-14H,2-7H2,1H3/t8?,9-,10-/m1/s1.
What are the key properties of (3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol?
(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol has a molecular weight of 203.28 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 151920870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).