(2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate

C9H15NO5 — CID 68636418

IUPAC(2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate
SMILESNCC(CCO)C(=O)OC1CCOC1=O
InChIInChI=1S/C9H15NO5/c10-5-6(1-3-11)8(12)15-7-2-4-14-9(7)13/h6-7,11H,1-5,10H2
InChIKeyGIPQVALKQJNVOO-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.20
Rot. Bonds5

About (2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate

(2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate (PubChem CID 68636418) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate
PubChem CID68636418
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate
SMILESNCC(CCO)C(=O)OC1CCOC1=O
InChIInChI=1S/C9H15NO5/c10-5-6(1-3-11)8(12)15-7-2-4-14-9(7)13/h6-7,11H,1-5,10H2
InChIKeyGIPQVALKQJNVOO-UHFFFAOYSA-N
XLogP-1.20
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate (CID 68636418) is (2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate is NCC(CCO)C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate?
The InChIKey is GIPQVALKQJNVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c10-5-6(1-3-11)8(12)15-7-2-4-14-9(7)13/h6-7,11H,1-5,10H2.
What are the key properties of (2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate?
(2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate has a molecular weight of 217.22 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate is sourced from PubChem (CID 68636418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).