2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid

C8H15NO5 — CID 123561241

IUPAC2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid
SMILESCOC1C(CC(=O)O)NC(CO)C1O
InChIInChI=1S/C8H15NO5/c1-14-8-4(2-6(11)12)9-5(3-10)7(8)13/h4-5,7-10,13H,2-3H2,1H3,(H,11,12)
InChIKeyRRETWIUKTTVCCU-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.83
Rot. Bonds4

About 2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid

2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid (PubChem CID 123561241) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid
PubChem CID123561241
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid
SMILESCOC1C(CC(=O)O)NC(CO)C1O
InChIInChI=1S/C8H15NO5/c1-14-8-4(2-6(11)12)9-5(3-10)7(8)13/h4-5,7-10,13H,2-3H2,1H3,(H,11,12)
InChIKeyRRETWIUKTTVCCU-UHFFFAOYSA-N
XLogP-1.83
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid (CID 123561241) is 2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid is COC1C(CC(=O)O)NC(CO)C1O.
What is the InChIKey of 2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid?
The InChIKey is RRETWIUKTTVCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-14-8-4(2-6(11)12)9-5(3-10)7(8)13/h4-5,7-10,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid?
2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid has a molecular weight of 205.21 g/mol, XLogP of -1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 123561241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).