(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol

C10H21NO4 — CID 103182797

IUPAC(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
SMILESCOCCCOCCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H21NO4/c1-14-4-2-5-15-6-3-11-7-9(12)10(13)8-11/h9-10,12-13H,2-8H2,1H3/t9-,10+
InChIKeyOPKCXKSSIHYKSP-AOOOYVTPSA-N
MW219.28 g/mol
LogP-0.92
Rot. Bonds7

About (3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol

(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol (PubChem CID 103182797) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
PubChem CID103182797
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
SMILESCOCCCOCCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H21NO4/c1-14-4-2-5-15-6-3-11-7-9(12)10(13)8-11/h9-10,12-13H,2-8H2,1H3/t9-,10+
InChIKeyOPKCXKSSIHYKSP-AOOOYVTPSA-N
XLogP-0.92
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
CID 103184107
1-(2-propoxyethyl)pyrrolidine-3,4-diol
CID 106671973
1-(4-methoxybutyl)azetidin-3-ol
CID 115773115
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
CID 103181610
3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
CID 103184094
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
CID 103181598
(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol
CID 70949431
[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine
CID 103184117

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol (CID 103182797) is (3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol is COCCCOCCN1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol?
The InChIKey is OPKCXKSSIHYKSP-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H21NO4/c1-14-4-2-5-15-6-3-11-7-9(12)10(13)8-11/h9-10,12-13H,2-8H2,1H3/t9-,10+.
What are the key properties of (3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol?
(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol has a molecular weight of 219.28 g/mol, XLogP of -0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 103182797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).