methane;(2S)-2-methylbutanoic acid

C7H18O2 — CID 159302978

IUPACmethane;(2S)-2-methylbutanoic acid
SMILESC.C.CC[C@H](C)C(=O)O
InChIInChI=1S/C5H10O2.2CH4/c1-3-4(2)5(6)7;;/h4H,3H2,1-2H3,(H,6,7);2*1H4/t4-;;/m0../s1
InChIKeyLBOINZZQIQUPGE-FHNDMYTFSA-N
MW134.22 g/mol
LogP2.39
Rot. Bonds2

About methane;(2S)-2-methylbutanoic acid

methane;(2S)-2-methylbutanoic acid (PubChem CID 159302978) has the molecular formula C7H18O2 and a molecular weight of 134.22 g/mol. Its IUPAC name is methane;(2S)-2-methylbutanoic acid.

Molecular Properties

Compound Namemethane;(2S)-2-methylbutanoic acid
PubChem CID159302978
Molecular FormulaC7H18O2
Molecular Weight134.22 g/mol
Exact Mass134.13
IUPAC Namemethane;(2S)-2-methylbutanoic acid
SMILESC.C.CC[C@H](C)C(=O)O
InChIInChI=1S/C5H10O2.2CH4/c1-3-4(2)5(6)7;;/h4H,3H2,1-2H3,(H,6,7);2*1H4/t4-;;/m0../s1
InChIKeyLBOINZZQIQUPGE-FHNDMYTFSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methylbutanoic acid
CID 87621166
iron;2-methylbutanoic acid
CID 175205801
bis(2-methylbutanoic acid);nickel
CID 170549792
CID 88513173
CID 88513173
methyl butanoate;2-methylbutanoic acid
CID 87240757
(2R)-2-methylbutanoic acid;2-methyloxetane
CID 70383358
methane;2-methylbutanamide
CID 158835184
ethane;ethenyl acetate;2-methylbutanoic acid
CID 174248174
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
2,4,6,8-tetramethyldecanoic acid
CID 5312348
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
2-(2-methylbutanoylamino)propanoic acid
CID 14758658

Frequently Asked Questions

What is the IUPAC name of methane;(2S)-2-methylbutanoic acid?
The IUPAC name of methane;(2S)-2-methylbutanoic acid (CID 159302978) is methane;(2S)-2-methylbutanoic acid.
What is the SMILES notation for methane;(2S)-2-methylbutanoic acid?
The canonical SMILES for methane;(2S)-2-methylbutanoic acid is C.C.CC[C@H](C)C(=O)O.
What is the InChIKey of methane;(2S)-2-methylbutanoic acid?
The InChIKey is LBOINZZQIQUPGE-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H10O2.2CH4/c1-3-4(2)5(6)7;;/h4H,3H2,1-2H3,(H,6,7);2*1H4/t4-;;/m0../s1.
What are the key properties of methane;(2S)-2-methylbutanoic acid?
methane;(2S)-2-methylbutanoic acid has a molecular weight of 134.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2S)-2-methylbutanoic acid is sourced from PubChem (CID 159302978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).