acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate

C10H20O8 — CID 175389554

IUPACacetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate
SMILESCC(=O)O.CCCOC(=O)C(C)O.O=C(O)CO
InChIInChI=1S/C6H12O3.C2H4O3.C2H4O2/c1-3-4-9-6(8)5(2)7;3-1-2(4)5;1-2(3)4/h5,7H,3-4H2,1-2H3;3H,1H2,(H,4,5);1H3,(H,3,4)
InChIKeyDCZJIGFRPLLWSG-UHFFFAOYSA-N
MW268.26 g/mol
LogP-0.53
Rot. Bonds4

About acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate

acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate (PubChem CID 175389554) has the molecular formula C10H20O8 and a molecular weight of 268.26 g/mol. Its IUPAC name is acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate.

Molecular Properties

Compound Nameacetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate
PubChem CID175389554
Molecular FormulaC10H20O8
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Nameacetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate
SMILESCC(=O)O.CCCOC(=O)C(C)O.O=C(O)CO
InChIInChI=1S/C6H12O3.C2H4O3.C2H4O2/c1-3-4-9-6(8)5(2)7;3-1-2(4)5;1-2(3)4/h5,7H,3-4H2,1-2H3;3H,1H2,(H,4,5);1H3,(H,3,4)
InChIKeyDCZJIGFRPLLWSG-UHFFFAOYSA-N
XLogP-0.53
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-3-oxo-3-propoxypropanoic acid
CID 21477330
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
butanoic acid;butyl 2-hydroxypropanoate
CID 87633857
ethyl 2-hydroxypropanoate;2-fluoroacetic acid
CID 174849871
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
propyl (2S,3R)-3-hydroxy-2-methylbutanoate
CID 57018774
butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
propyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 57168627
propyl 2,3-dihydroxy-4-methylpent-3-enoate
CID 18431824
octadecyl 2-hydroxypropanoate;zinc
CID 174699116
N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate
CID 87453878
propyl 2-hydroxypropaneperoxoate
CID 91194019

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate?
The IUPAC name of acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate (CID 175389554) is acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate.
What is the SMILES notation for acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate?
The canonical SMILES for acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate is CC(=O)O.CCCOC(=O)C(C)O.O=C(O)CO.
What is the InChIKey of acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate?
The InChIKey is DCZJIGFRPLLWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C2H4O3.C2H4O2/c1-3-4-9-6(8)5(2)7;3-1-2(4)5;1-2(3)4/h5,7H,3-4H2,1-2H3;3H,1H2,(H,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate?
acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate has a molecular weight of 268.26 g/mol, XLogP of -0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate is sourced from PubChem (CID 175389554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).