(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol

C9H17NO3 — CID 115278432

IUPAC(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol
SMILESOC1CCCC1N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C9H17NO3/c11-7-3-1-2-6(7)10-4-8(12)9(13)5-10/h6-9,11-13H,1-5H2/t6?,7?,8-,9+
InChIKeyCSGVULFHSZRNOX-WZENYGAOSA-N
MW187.24 g/mol
LogP-1.06
Rot. Bonds1

About (3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol

(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol (PubChem CID 115278432) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol
PubChem CID115278432
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol
SMILESOC1CCCC1N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C9H17NO3/c11-7-3-1-2-6(7)10-4-8(12)9(13)5-10/h6-9,11-13H,1-5H2/t6?,7?,8-,9+
InChIKeyCSGVULFHSZRNOX-WZENYGAOSA-N
XLogP-1.06
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol
CID 122235780
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
1-[(1R,2R)-2-hydroxycyclopentyl]piperidin-4-ol
CID 102734322
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436
trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
CID 51890003
2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
CID 116684067
1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721763
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol
CID 63151120
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol (CID 115278432) is (3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol is OC1CCCC1N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol?
The InChIKey is CSGVULFHSZRNOX-WZENYGAOSA-N. The full InChI is InChI=1S/C9H17NO3/c11-7-3-1-2-6(7)10-4-8(12)9(13)5-10/h6-9,11-13H,1-5H2/t6?,7?,8-,9+.
What are the key properties of (3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol?
(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol has a molecular weight of 187.24 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 115278432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).