2-hydroxy-3-oxo-3-propoxypropanoic acid

C6H10O5 — CID 21477330

IUPAC2-hydroxy-3-oxo-3-propoxypropanoic acid
SMILESCCCOC(=O)C(O)C(=O)O
InChIInChI=1S/C6H10O5/c1-2-3-11-6(10)4(7)5(8)9/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyVIAXHKIJZJDBIN-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.61
Rot. Bonds4

About 2-hydroxy-3-oxo-3-propoxypropanoic acid

2-hydroxy-3-oxo-3-propoxypropanoic acid (PubChem CID 21477330) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-hydroxy-3-oxo-3-propoxypropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-oxo-3-propoxypropanoic acid
PubChem CID21477330
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name2-hydroxy-3-oxo-3-propoxypropanoic acid
SMILESCCCOC(=O)C(O)C(=O)O
InChIInChI=1S/C6H10O5/c1-2-3-11-6(10)4(7)5(8)9/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyVIAXHKIJZJDBIN-UHFFFAOYSA-N
XLogP-0.61
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

propyl 2,3-dihydroxy-4-methylpent-3-enoate
CID 18431824
propyl (2R)-2-methylbutanoate
CID 86306230
acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate
CID 175389554
methane;2-(1-oxo-1-propoxypropan-2-yl)pentanoic acid
CID 160908487
CID 175808043
CID 175808043
propyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 57168627
2-methylpropanoic acid;propyl hydrogen carbonate
CID 174790035
propyl (2S,3R)-3-hydroxy-2-methylbutanoate
CID 57018774
dipropyl 2,3-diiodobutanedioate
CID 87640369
5-oxo-5-propoxy-2,4-bis(sulfanyl)pentanoic acid
CID 90767518
4-amino-2-methyl-5-oxo-5-propoxypentanoic acid
CID 154095903
butyl (2S)-2-aminopropanoate;2-hydroxypropanoic acid
CID 87380952

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-oxo-3-propoxypropanoic acid?
The IUPAC name of 2-hydroxy-3-oxo-3-propoxypropanoic acid (CID 21477330) is 2-hydroxy-3-oxo-3-propoxypropanoic acid.
What is the SMILES notation for 2-hydroxy-3-oxo-3-propoxypropanoic acid?
The canonical SMILES for 2-hydroxy-3-oxo-3-propoxypropanoic acid is CCCOC(=O)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-oxo-3-propoxypropanoic acid?
The InChIKey is VIAXHKIJZJDBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-2-3-11-6(10)4(7)5(8)9/h4,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-hydroxy-3-oxo-3-propoxypropanoic acid?
2-hydroxy-3-oxo-3-propoxypropanoic acid has a molecular weight of 162.14 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-oxo-3-propoxypropanoic acid is sourced from PubChem (CID 21477330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).