2-ethoxypropanoic acid;methane

C7H18O3 — CID 160636954

IUPAC2-ethoxypropanoic acid;methane
SMILESC.C.CCOC(C)C(=O)O
InChIInChI=1S/C5H10O3.2CH4/c1-3-8-4(2)5(6)7;;/h4H,3H2,1-2H3,(H,6,7);2*1H4
InChIKeyRIQUWOMJQYHVCR-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.77
Rot. Bonds3

About 2-ethoxypropanoic acid;methane

2-ethoxypropanoic acid;methane (PubChem CID 160636954) has the molecular formula C7H18O3 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethoxypropanoic acid;methane.

Molecular Properties

Compound Name2-ethoxypropanoic acid;methane
PubChem CID160636954
Molecular FormulaC7H18O3
Molecular Weight150.22 g/mol
Exact Mass150.13
IUPAC Name2-ethoxypropanoic acid;methane
SMILESC.C.CCOC(C)C(=O)O
InChIInChI=1S/C5H10O3.2CH4/c1-3-8-4(2)5(6)7;;/h4H,3H2,1-2H3,(H,6,7);2*1H4
InChIKeyRIQUWOMJQYHVCR-UHFFFAOYSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
(2S)-2-(2-ethoxypropoxy)propanoic acid
CID 151300849
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
(2S)-2-(2-ethylbutoxy)propanoic acid
CID 104876124
(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
CID 150908774
carbonic acid;1,1-diethoxyethane
CID 87827362
amino 2-ethoxypropanoate
CID 87914402
(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
sodium 2-ethoxypropanoate
CID 141029681
[(2R)-2-ethoxypropanoyl]azanium chloride
CID 163361929
(2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid
CID 104876420

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropanoic acid;methane?
The IUPAC name of 2-ethoxypropanoic acid;methane (CID 160636954) is 2-ethoxypropanoic acid;methane.
What is the SMILES notation for 2-ethoxypropanoic acid;methane?
The canonical SMILES for 2-ethoxypropanoic acid;methane is C.C.CCOC(C)C(=O)O.
What is the InChIKey of 2-ethoxypropanoic acid;methane?
The InChIKey is RIQUWOMJQYHVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.2CH4/c1-3-8-4(2)5(6)7;;/h4H,3H2,1-2H3,(H,6,7);2*1H4.
What are the key properties of 2-ethoxypropanoic acid;methane?
2-ethoxypropanoic acid;methane has a molecular weight of 150.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropanoic acid;methane is sourced from PubChem (CID 160636954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).