potassium (2S)-2-(methylamino)propanoate

C4H8KNO2 — CID 23687876

IUPACpotassium (2S)-2-(methylamino)propanoate
SMILESCN[C@@H](C)C(=O)[O-].[K+]
InChIInChI=1S/C4H9NO2.K/c1-3(5-2)4(6)7;/h3,5H,1-2H3,(H,6,7);/q;+1/p-1/t3-;/m0./s1
InChIKeyKMHJVMTZJOJIHA-DFWYDOINSA-M
MW141.21 g/mol
LogP-4.65
Rot. Bonds2

About potassium (2S)-2-(methylamino)propanoate

potassium (2S)-2-(methylamino)propanoate (PubChem CID 23687876) has the molecular formula C4H8KNO2 and a molecular weight of 141.21 g/mol. Its IUPAC name is potassium (2S)-2-(methylamino)propanoate.

Molecular Properties

Compound Namepotassium (2S)-2-(methylamino)propanoate
PubChem CID23687876
Molecular FormulaC4H8KNO2
Molecular Weight141.21 g/mol
Exact Mass141.02
IUPAC Namepotassium (2S)-2-(methylamino)propanoate
SMILESCN[C@@H](C)C(=O)[O-].[K+]
InChIInChI=1S/C4H9NO2.K/c1-3(5-2)4(6)7;/h3,5H,1-2H3,(H,6,7);/q;+1/p-1/t3-;/m0./s1
InChIKeyKMHJVMTZJOJIHA-DFWYDOINSA-M
XLogP-4.65
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 5-4.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium (2S)-2-(methylamino)propanoate?
The IUPAC name of potassium (2S)-2-(methylamino)propanoate (CID 23687876) is potassium (2S)-2-(methylamino)propanoate.
What is the SMILES notation for potassium (2S)-2-(methylamino)propanoate?
The canonical SMILES for potassium (2S)-2-(methylamino)propanoate is CN[C@@H](C)C(=O)[O-].[K+].
What is the InChIKey of potassium (2S)-2-(methylamino)propanoate?
The InChIKey is KMHJVMTZJOJIHA-DFWYDOINSA-M. The full InChI is InChI=1S/C4H9NO2.K/c1-3(5-2)4(6)7;/h3,5H,1-2H3,(H,6,7);/q;+1/p-1/t3-;/m0./s1.
What are the key properties of potassium (2S)-2-(methylamino)propanoate?
potassium (2S)-2-(methylamino)propanoate has a molecular weight of 141.21 g/mol, XLogP of -4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-2-(methylamino)propanoate is sourced from PubChem (CID 23687876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).