(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol

C10H21NO2 — CID 83160990

IUPAC(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol
SMILESCC(C)CCCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H21NO2/c1-8(2)4-3-5-11-6-9(12)10(13)7-11/h8-10,12-13H,3-7H2,1-2H3/t9-,10+
InChIKeyJZODYGBUOJUIMT-AOOOYVTPSA-N
MW187.28 g/mol
LogP0.46
Rot. Bonds4

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

(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol (PubChem CID 83160990) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol
PubChem CID83160990
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol
SMILESCC(C)CCCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H21NO2/c1-8(2)4-3-5-11-6-9(12)10(13)7-11/h8-10,12-13H,3-7H2,1-2H3/t9-,10+
InChIKeyJZODYGBUOJUIMT-AOOOYVTPSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-1-(4-methylpentyl)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

(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine
CID 145194084
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
1-hydroxy-4-(4-methylpentyl)piperazine
CID 59781141
1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine
CID 123267329
1-[2-(4-methylpentyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 155750738
4-chloro-1-(4-methylpentyl)piperidine
CID 83168582
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
(6S)-1-benzyl-4-(4-methylpentyl)-1,4-diazepan-6-ol
CID 99978630
1-(3,4-dihydroxypyrrolidin-1-yl)-5-methylhexan-1-one
CID 130410946
4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
CID 106670158
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol (CID 83160990) is (3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol is CC(C)CCCN1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol?
The InChIKey is JZODYGBUOJUIMT-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)4-3-5-11-6-9(12)10(13)7-11/h8-10,12-13H,3-7H2,1-2H3/t9-,10+.
What are the key properties of (3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol?
(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol has a molecular weight of 187.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 83160990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).