potassium 2-phenylmethoxypropanoylazanide

C10H12KNO2 — CID 143775552

IUPACpotassium 2-phenylmethoxypropanoylazanide
SMILESCC(OCc1ccccc1)C([NH-])=O.[K+]
InChIInChI=1S/C10H13NO2.K/c1-8(10(11)12)13-7-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H2,11,12);/q;+1/p-1
InChIKeyKPHJHCDDHKMBMJ-UHFFFAOYSA-M
MW217.31 g/mol
LogP-0.83
Rot. Bonds4

About potassium 2-phenylmethoxypropanoylazanide

potassium 2-phenylmethoxypropanoylazanide (PubChem CID 143775552) has the molecular formula C10H12KNO2 and a molecular weight of 217.31 g/mol. Its IUPAC name is potassium 2-phenylmethoxypropanoylazanide.

Molecular Properties

Compound Namepotassium 2-phenylmethoxypropanoylazanide
PubChem CID143775552
Molecular FormulaC10H12KNO2
Molecular Weight217.31 g/mol
Exact Mass217.05
IUPAC Namepotassium 2-phenylmethoxypropanoylazanide
SMILESCC(OCc1ccccc1)C([NH-])=O.[K+]
InChIInChI=1S/C10H13NO2.K/c1-8(10(11)12)13-7-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H2,11,12);/q;+1/p-1
InChIKeyKPHJHCDDHKMBMJ-UHFFFAOYSA-M
XLogP-0.83
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl 2-phenylmethoxypropanoate
CID 15731819
S-phenyl (2R)-2-phenylmethoxypropanethioate
CID 15356044
(2R)-2-[(4-phenylphenyl)methoxy]propanoic acid
CID 104875216
(2S,4S,5S)-5-hydroxy-4,6-dimethyl-2-phenylmethoxyheptan-3-one
CID 101232046
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
ethane;(2S)-2-[2-[(2S)-2-[2-(2-phenylmethoxypropanoyloxy)propanoyloxy]propanoyl]oxypropanoyloxy]propanoic acid
CID 143088943
1-methyl-3-(2-phenylmethoxypropanoylamino)urea
CID 47383903
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
(2S,4S,5S)-5-hydroxy-4-methyl-2-phenylmethoxyheptan-3-one
CID 101232048
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
[(1S)-1-phenylmethoxyethyl] acetate
CID 10965388
3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070

Frequently Asked Questions

What is the IUPAC name of potassium 2-phenylmethoxypropanoylazanide?
The IUPAC name of potassium 2-phenylmethoxypropanoylazanide (CID 143775552) is potassium 2-phenylmethoxypropanoylazanide.
What is the SMILES notation for potassium 2-phenylmethoxypropanoylazanide?
The canonical SMILES for potassium 2-phenylmethoxypropanoylazanide is CC(OCc1ccccc1)C([NH-])=O.[K+].
What is the InChIKey of potassium 2-phenylmethoxypropanoylazanide?
The InChIKey is KPHJHCDDHKMBMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13NO2.K/c1-8(10(11)12)13-7-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H2,11,12);/q;+1/p-1.
What are the key properties of potassium 2-phenylmethoxypropanoylazanide?
potassium 2-phenylmethoxypropanoylazanide has a molecular weight of 217.31 g/mol, XLogP of -0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-phenylmethoxypropanoylazanide is sourced from PubChem (CID 143775552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).