2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid

C9H16O4 — CID 11506590

IUPAC2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid
SMILESCC[C@H](O)[C@H]1C[C@H](CC(=O)O)CO1
InChIInChI=1S/C9H16O4/c1-2-7(10)8-3-6(5-13-8)4-9(11)12/h6-8,10H,2-5H2,1H3,(H,11,12)/t6-,7+,8-/m1/s1
InChIKeyIIIMOTPQTTVUFX-GJMOJQLCSA-N
MW188.22 g/mol
LogP0.64
Rot. Bonds4

About 2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid

2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid (PubChem CID 11506590) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid
PubChem CID11506590
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid
SMILESCC[C@H](O)[C@H]1C[C@H](CC(=O)O)CO1
InChIInChI=1S/C9H16O4/c1-2-7(10)8-3-6(5-13-8)4-9(11)12/h6-8,10H,2-5H2,1H3,(H,11,12)/t6-,7+,8-/m1/s1
InChIKeyIIIMOTPQTTVUFX-GJMOJQLCSA-N
XLogP0.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid?
The IUPAC name of 2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid (CID 11506590) is 2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid?
The canonical SMILES for 2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid is CC[C@H](O)[C@H]1C[C@H](CC(=O)O)CO1.
What is the InChIKey of 2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid?
The InChIKey is IIIMOTPQTTVUFX-GJMOJQLCSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-7(10)8-3-6(5-13-8)4-9(11)12/h6-8,10H,2-5H2,1H3,(H,11,12)/t6-,7+,8-/m1/s1.
What are the key properties of 2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid?
2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid has a molecular weight of 188.22 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]acetic acid is sourced from PubChem (CID 11506590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).