(2S)-2-acetamidopropanoate;copper(1+)

C5H8CuNO3 — CID 175469092

IUPAC(2S)-2-acetamidopropanoate;copper(1+)
SMILESCC(=O)N[C@@H](C)C(=O)[O-].[Cu+]
InChIInChI=1S/C5H9NO3.Cu/c1-3(5(8)9)6-4(2)7;/h3H,1-2H3,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1
InChIKeyQJIAQBWLUUGBLU-DFWYDOINSA-M
MW193.67 g/mol
LogP-1.74
Rot. Bonds2

About (2S)-2-acetamidopropanoate;copper(1+)

(2S)-2-acetamidopropanoate;copper(1+) (PubChem CID 175469092) has the molecular formula C5H8CuNO3 and a molecular weight of 193.67 g/mol. Its IUPAC name is (2S)-2-acetamidopropanoate;copper(1+).

Molecular Properties

Compound Name(2S)-2-acetamidopropanoate;copper(1+)
PubChem CID175469092
Molecular FormulaC5H8CuNO3
Molecular Weight193.67 g/mol
Exact Mass192.98
IUPAC Name(2S)-2-acetamidopropanoate;copper(1+)
SMILESCC(=O)N[C@@H](C)C(=O)[O-].[Cu+]
InChIInChI=1S/C5H9NO3.Cu/c1-3(5(8)9)6-4(2)7;/h3H,1-2H3,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1
InChIKeyQJIAQBWLUUGBLU-DFWYDOINSA-M
XLogP-1.74
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamidopropanoate
CID 6926438
methyl (2R)-2-acetamidopropanoate
CID 6951031
sodium 2-(hydroxyamino)propanoate
CID 23713376
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
(2S)-2-acetamidopropanoyl iodide
CID 126569176
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
ethyl (2S)-2-acetamidopropanoate
CID 11805045
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
CID 7017965
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
N-(4-methylpent-1-yn-3-yl)acetamide
CID 123211812
N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide
CID 19164934
N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide
CID 45119229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamidopropanoate;copper(1+)?
The IUPAC name of (2S)-2-acetamidopropanoate;copper(1+) (CID 175469092) is (2S)-2-acetamidopropanoate;copper(1+).
What is the SMILES notation for (2S)-2-acetamidopropanoate;copper(1+)?
The canonical SMILES for (2S)-2-acetamidopropanoate;copper(1+) is CC(=O)N[C@@H](C)C(=O)[O-].[Cu+].
What is the InChIKey of (2S)-2-acetamidopropanoate;copper(1+)?
The InChIKey is QJIAQBWLUUGBLU-DFWYDOINSA-M. The full InChI is InChI=1S/C5H9NO3.Cu/c1-3(5(8)9)6-4(2)7;/h3H,1-2H3,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1.
What are the key properties of (2S)-2-acetamidopropanoate;copper(1+)?
(2S)-2-acetamidopropanoate;copper(1+) has a molecular weight of 193.67 g/mol, XLogP of -1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamidopropanoate;copper(1+) is sourced from PubChem (CID 175469092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).