potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate

C5H9KNO3P — CID 176891525

IUPACpotassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate
SMILESC[P+]([O-])=CC[C@H](N)C(=O)[O-].[K+]
InChIInChI=1S/C5H10NO3P.K/c1-10(9)3-2-4(6)5(7)8;/h3-4H,2,6H2,1H3,(H,7,8);/q;+1/p-1/t4-;/m0./s1
InChIKeyMZZSMYMYUGPDOM-WCCKRBBISA-M
MW201.20 g/mol
LogP-5.35
Rot. Bonds3

About potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate

potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate (PubChem CID 176891525) has the molecular formula C5H9KNO3P and a molecular weight of 201.20 g/mol. Its IUPAC name is potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate.

Molecular Properties

Compound Namepotassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate
PubChem CID176891525
Molecular FormulaC5H9KNO3P
Molecular Weight201.20 g/mol
Exact Mass201.00
IUPAC Namepotassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate
SMILESC[P+]([O-])=CC[C@H](N)C(=O)[O-].[K+]
InChIInChI=1S/C5H10NO3P.K/c1-10(9)3-2-4(6)5(7)8;/h3-4H,2,6H2,1H3,(H,7,8);/q;+1/p-1/t4-;/m0./s1
InChIKeyMZZSMYMYUGPDOM-WCCKRBBISA-M
XLogP-5.35
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 5-5.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium
CID 176891524
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
zinc;2-amino-3-sulfidopropanoate;hydrochloride
CID 85144932
(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
CID 88636151
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
(2S)-2-amino-4,4-dimethylpentanoate
CID 149433644
calcium;2-aminobutanedioate;hydrochloride
CID 19880069
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
2-amino-4-methylpentanoate
CID 157437742
potassium 2-aminopropanoate
CID 21339510
sodium 2-amino-3-hydroxypropanoate
CID 23676048
2-aminobutanedioate
CID 4519554

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate?
The IUPAC name of potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate (CID 176891525) is potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate.
What is the SMILES notation for potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate?
The canonical SMILES for potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate is C[P+]([O-])=CC[C@H](N)C(=O)[O-].[K+].
What is the InChIKey of potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate?
The InChIKey is MZZSMYMYUGPDOM-WCCKRBBISA-M. The full InChI is InChI=1S/C5H10NO3P.K/c1-10(9)3-2-4(6)5(7)8;/h3-4H,2,6H2,1H3,(H,7,8);/q;+1/p-1/t4-;/m0./s1.
What are the key properties of potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate?
potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate has a molecular weight of 201.20 g/mol, XLogP of -5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate is sourced from PubChem (CID 176891525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).