(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride

C5H12ClNO5P- — CID 53313139

IUPAC(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride
SMILESC[C@](N)(CCP(=O)(O)O)C(=O)O.[Cl-]
InChIInChI=1S/C5H12NO5P.ClH/c1-5(6,4(7)8)2-3-12(9,10)11;/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11);1H/p-1/t5-;/m0./s1
InChIKeyDNFXUQUECNSSJF-JEDNCBNOSA-M
MW232.58 g/mol
LogP-3.64
Rot. Bonds4

About (2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride

(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride (PubChem CID 53313139) has the molecular formula C5H12ClNO5P- and a molecular weight of 232.58 g/mol. Its IUPAC name is (2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride.

Molecular Properties

Compound Name(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride
PubChem CID53313139
Molecular FormulaC5H12ClNO5P-
Molecular Weight232.58 g/mol
Exact Mass232.01
IUPAC Name(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride
SMILESC[C@](N)(CCP(=O)(O)O)C(=O)O.[Cl-]
InChIInChI=1S/C5H12NO5P.ClH/c1-5(6,4(7)8)2-3-12(9,10)11;/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11);1H/p-1/t5-;/m0./s1
InChIKeyDNFXUQUECNSSJF-JEDNCBNOSA-M
XLogP-3.64
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.58
LogP ≤ 5-3.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride?
The IUPAC name of (2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride (CID 53313139) is (2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride.
What is the SMILES notation for (2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride?
The canonical SMILES for (2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride is C[C@](N)(CCP(=O)(O)O)C(=O)O.[Cl-].
What is the InChIKey of (2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride?
The InChIKey is DNFXUQUECNSSJF-JEDNCBNOSA-M. The full InChI is InChI=1S/C5H12NO5P.ClH/c1-5(6,4(7)8)2-3-12(9,10)11;/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11);1H/p-1/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride?
(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride has a molecular weight of 232.58 g/mol, XLogP of -3.64, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride is sourced from PubChem (CID 53313139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).