potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate

C7H16KNO4 — CID 174969081

IUPACpotassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].NC(CO)C(=O)O.[K+]
InChIInChI=1S/C4H9O.C3H7NO3.K/c1-4(2,3)5;4-2(1-5)3(6)7;/h1-3H3;2,5H,1,4H2,(H,6,7);/q-1;;+1
InChIKeyWKAZHBHOFDNPSY-UHFFFAOYSA-N
MW217.31 g/mol
LogP-4.46
Rot. Bonds2

About potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate

potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate (PubChem CID 174969081) has the molecular formula C7H16KNO4 and a molecular weight of 217.31 g/mol. Its IUPAC name is potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate
PubChem CID174969081
Molecular FormulaC7H16KNO4
Molecular Weight217.31 g/mol
Exact Mass217.07
IUPAC Namepotassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].NC(CO)C(=O)O.[K+]
InChIInChI=1S/C4H9O.C3H7NO3.K/c1-4(2,3)5;4-2(1-5)3(6)7;/h1-3H3;2,5H,1,4H2,(H,6,7);/q-1;;+1
InChIKeyWKAZHBHOFDNPSY-UHFFFAOYSA-N
XLogP-4.46
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-4.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
CID 157089134
CID 157089134
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
trisodium;tris((2S)-2-amino-3-hydroxypropanoic acid);borate
CID 173145098
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
CID 172852587
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
2-amino-3-hydroxypropanoic acid;azane;nitric acid
CID 173259395
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
(2S)-2-amino-3-hydroxypropanoic acid;isocyanic acid
CID 87840009

Frequently Asked Questions

What is the IUPAC name of potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate?
The IUPAC name of potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate (CID 174969081) is potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate.
What is the SMILES notation for potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate?
The canonical SMILES for potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate is CC(C)(C)[O-].NC(CO)C(=O)O.[K+].
What is the InChIKey of potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate?
The InChIKey is WKAZHBHOFDNPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.C3H7NO3.K/c1-4(2,3)5;4-2(1-5)3(6)7;/h1-3H3;2,5H,1,4H2,(H,6,7);/q-1;;+1.
What are the key properties of potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate?
potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate has a molecular weight of 217.31 g/mol, XLogP of -4.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate is sourced from PubChem (CID 174969081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).