(2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid

C10H18O9 — CID 174815037

IUPAC(2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid
SMILESCCO[C@](CC)(C(=O)O)C(O)C(=O)O.O=C(O)CO
InChIInChI=1S/C8H14O6.C2H4O3/c1-3-8(7(12)13,14-4-2)5(9)6(10)11;3-1-2(4)5/h5,9H,3-4H2,1-2H3,(H,10,11)(H,12,13);3H,1H2,(H,4,5)/t5?,8-;/m0./s1
InChIKeyUMBLIKPDZNKLOC-BVEJNZGXSA-N
MW282.25 g/mol
LogP-1.23
Rot. Bonds7

About (2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid

(2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid (PubChem CID 174815037) has the molecular formula C10H18O9 and a molecular weight of 282.25 g/mol. Its IUPAC name is (2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid
PubChem CID174815037
Molecular FormulaC10H18O9
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name(2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid
SMILESCCO[C@](CC)(C(=O)O)C(O)C(=O)O.O=C(O)CO
InChIInChI=1S/C8H14O6.C2H4O3/c1-3-8(7(12)13,14-4-2)5(9)6(10)11;3-1-2(4)5/h5,9H,3-4H2,1-2H3,(H,10,11)(H,12,13);3H,1H2,(H,4,5)/t5?,8-;/m0./s1
InChIKeyUMBLIKPDZNKLOC-BVEJNZGXSA-N
XLogP-1.23
TPSA161.59 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-2-ethyl-3-methylbutanoic acid
CID 116768994
2-ethoxy-3-ethyl-2-hexylbutanedioic acid
CID 87447391
2-[carboxy(hydroxy)methyl]sulfanyl-2-ethoxy-2-hydroxyacetic acid
CID 141367250
2-hydroxyacetic acid;methoxymethane
CID 87581490
2-acetyloxy-2-ethyl-3-hydroxyhexanoic acid
CID 57151238
1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)
CID 160783173
2,2-dichloro-2-ethoxyacetic acid
CID 87516880
2-ethoxy-3-ethylpentane-1,2,3-tricarboxylic acid
CID 18458326
3-ethoxycarbonyl-2,3-diethylpentanoic acid
CID 89049085
prop-2-enoic acid;1,1,1-triethoxypropane
CID 174826427
3,3-diethoxy-2-methylidenepentanoic acid
CID 87403796
1,1,1-triethoxypropan-2-ol
CID 87156976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid?
The IUPAC name of (2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid (CID 174815037) is (2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid is CCO[C@](CC)(C(=O)O)C(O)C(=O)O.O=C(O)CO.
What is the InChIKey of (2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid?
The InChIKey is UMBLIKPDZNKLOC-BVEJNZGXSA-N. The full InChI is InChI=1S/C8H14O6.C2H4O3/c1-3-8(7(12)13,14-4-2)5(9)6(10)11;3-1-2(4)5/h5,9H,3-4H2,1-2H3,(H,10,11)(H,12,13);3H,1H2,(H,4,5)/t5?,8-;/m0./s1.
What are the key properties of (2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid?
(2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid has a molecular weight of 282.25 g/mol, XLogP of -1.23, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid is sourced from PubChem (CID 174815037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).