2-acetamidobutanoic acid;ethane;methanol

C9H21NO4 — CID 143023346

IUPAC2-acetamidobutanoic acid;ethane;methanol
SMILESCC.CCC(NC(C)=O)C(=O)O.CO
InChIInChI=1S/C6H11NO3.C2H6.CH4O/c1-3-5(6(9)10)7-4(2)8;2*1-2/h5H,3H2,1-2H3,(H,7,8)(H,9,10);1-2H3;2H,1H3
InChIKeyKVGWEKDLUBZAJN-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.62
Rot. Bonds3

About 2-acetamidobutanoic acid;ethane;methanol

2-acetamidobutanoic acid;ethane;methanol (PubChem CID 143023346) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-acetamidobutanoic acid;ethane;methanol.

Molecular Properties

Compound Name2-acetamidobutanoic acid;ethane;methanol
PubChem CID143023346
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name2-acetamidobutanoic acid;ethane;methanol
SMILESCC.CCC(NC(C)=O)C(=O)O.CO
InChIInChI=1S/C6H11NO3.C2H6.CH4O/c1-3-5(6(9)10)7-4(2)8;2*1-2/h5H,3H2,1-2H3,(H,7,8)(H,9,10);1-2H3;2H,1H3
InChIKeyKVGWEKDLUBZAJN-UHFFFAOYSA-N
XLogP0.62
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
(2R)-2-acetamidobutanethioic S-acid
CID 54504907
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]butanoic acid
CID 10831362
ethane;2-(methylamino)butanoic acid
CID 91558033
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
(2S)-2-acetamido-3-[[(2S)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
CID 11461484
methyl (2S)-2-acetamidobutanoate
CID 11084154
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
2-acetamido-3-pentan-3-ylsulfonylpropanoic acid
CID 107768298
2-acetamido-3-(2-ethylbutylsulfinyl)propanoic acid
CID 107768616

Frequently Asked Questions

What is the IUPAC name of 2-acetamidobutanoic acid;ethane;methanol?
The IUPAC name of 2-acetamidobutanoic acid;ethane;methanol (CID 143023346) is 2-acetamidobutanoic acid;ethane;methanol.
What is the SMILES notation for 2-acetamidobutanoic acid;ethane;methanol?
The canonical SMILES for 2-acetamidobutanoic acid;ethane;methanol is CC.CCC(NC(C)=O)C(=O)O.CO.
What is the InChIKey of 2-acetamidobutanoic acid;ethane;methanol?
The InChIKey is KVGWEKDLUBZAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C2H6.CH4O/c1-3-5(6(9)10)7-4(2)8;2*1-2/h5H,3H2,1-2H3,(H,7,8)(H,9,10);1-2H3;2H,1H3.
What are the key properties of 2-acetamidobutanoic acid;ethane;methanol?
2-acetamidobutanoic acid;ethane;methanol has a molecular weight of 207.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidobutanoic acid;ethane;methanol is sourced from PubChem (CID 143023346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).