2-hydroxy-2-(oxiren-2-yl)propanoic acid

C5H6O4 — CID 142719758

IUPAC2-hydroxy-2-(oxiren-2-yl)propanoic acid
SMILESCC(O)(C(=O)O)C1=CO1
InChIInChI=1S/C5H6O4/c1-5(8,4(6)7)3-2-9-3/h2,8H,1H3,(H,6,7)
InChIKeyNJTDVTRCZPCBGT-UHFFFAOYSA-N
MW130.10 g/mol
LogP-0.31
Rot. Bonds2

About 2-hydroxy-2-(oxiren-2-yl)propanoic acid

2-hydroxy-2-(oxiren-2-yl)propanoic acid (PubChem CID 142719758) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2-hydroxy-2-(oxiren-2-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(oxiren-2-yl)propanoic acid
PubChem CID142719758
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name2-hydroxy-2-(oxiren-2-yl)propanoic acid
SMILESCC(O)(C(=O)O)C1=CO1
InChIInChI=1S/C5H6O4/c1-5(8,4(6)7)3-2-9-3/h2,8H,1H3,(H,6,7)
InChIKeyNJTDVTRCZPCBGT-UHFFFAOYSA-N
XLogP-0.31
TPSA70.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(oxiren-2-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(oxiren-2-yl)propanoic acid (CID 142719758) is 2-hydroxy-2-(oxiren-2-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(oxiren-2-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(oxiren-2-yl)propanoic acid is CC(O)(C(=O)O)C1=CO1.
What is the InChIKey of 2-hydroxy-2-(oxiren-2-yl)propanoic acid?
The InChIKey is NJTDVTRCZPCBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-5(8,4(6)7)3-2-9-3/h2,8H,1H3,(H,6,7).
What are the key properties of 2-hydroxy-2-(oxiren-2-yl)propanoic acid?
2-hydroxy-2-(oxiren-2-yl)propanoic acid has a molecular weight of 130.10 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(oxiren-2-yl)propanoic acid is sourced from PubChem (CID 142719758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).