(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate

C5H10O6 — CID 158096678

IUPAC(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate
SMILESCOC(=O)O.C[C@H](O)C(=O)O
InChIInChI=1S/C3H6O3.C2H4O3/c1-2(4)3(5)6;1-5-2(3)4/h2,4H,1H3,(H,5,6);1H3,(H,3,4)/t2-;/m0./s1
InChIKeyFOTDWUYFEVEGFR-DKWTVANSSA-N
MW166.13 g/mol
LogP-0.24
Rot. Bonds1

About (2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate

(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate (PubChem CID 158096678) has the molecular formula C5H10O6 and a molecular weight of 166.13 g/mol. Its IUPAC name is (2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate.

Molecular Properties

Compound Name(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate
PubChem CID158096678
Molecular FormulaC5H10O6
Molecular Weight166.13 g/mol
Exact Mass166.05
IUPAC Name(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate
SMILESCOC(=O)O.C[C@H](O)C(=O)O
InChIInChI=1S/C3H6O3.C2H4O3/c1-2(4)3(5)6;1-5-2(3)4/h2,4H,1H3,(H,5,6);1H3,(H,3,4)/t2-;/m0./s1
InChIKeyFOTDWUYFEVEGFR-DKWTVANSSA-N
XLogP-0.24
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxypropanoic acid
CID 87075455
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020
CID 123133976
CID 123133976
CID 11776805
CID 11776805
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 129137181
CID 129137181
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474
chromium;2-hydroxypropanoic acid;trihydrate
CID 173468651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate?
The IUPAC name of (2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate (CID 158096678) is (2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate.
What is the SMILES notation for (2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate?
The canonical SMILES for (2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate is COC(=O)O.C[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate?
The InChIKey is FOTDWUYFEVEGFR-DKWTVANSSA-N. The full InChI is InChI=1S/C3H6O3.C2H4O3/c1-2(4)3(5)6;1-5-2(3)4/h2,4H,1H3,(H,5,6);1H3,(H,3,4)/t2-;/m0./s1.
What are the key properties of (2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate?
(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate has a molecular weight of 166.13 g/mol, XLogP of -0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate is sourced from PubChem (CID 158096678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).