[(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium

C5H10NO3P — CID 176891524

IUPAC[(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium
SMILESC[P+]([O-])=CC[C@H](N)C(=O)O
InChIInChI=1S/C5H10NO3P/c1-10(9)3-2-4(6)5(7)8/h3-4H,2,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyHIOZHWPQTKFASH-BYPYZUCNSA-N
MW163.11 g/mol
LogP-1.02
Rot. Bonds3

About [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium

[(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium (PubChem CID 176891524) has the molecular formula C5H10NO3P and a molecular weight of 163.11 g/mol. Its IUPAC name is [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium.

Molecular Properties

Compound Name[(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium
PubChem CID176891524
Molecular FormulaC5H10NO3P
Molecular Weight163.11 g/mol
Exact Mass163.04
IUPAC Name[(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium
SMILESC[P+]([O-])=CC[C@H](N)C(=O)O
InChIInChI=1S/C5H10NO3P/c1-10(9)3-2-4(6)5(7)8/h3-4H,2,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyHIOZHWPQTKFASH-BYPYZUCNSA-N
XLogP-1.02
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium (2S)-2-amino-4-[methyl(oxido)phosphaniumylidene]butanoate
CID 176891525
(Z)-2,7-diaminooct-4-enedioic acid
CID 90205978
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
(Z,2S)-2-amino-5-iodopent-4-enoic acid
CID 92531833
(E,2S)-2-amino-6,6-dimethylhept-4-enoic acid
CID 58150151
(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
CID 174239098
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
CID 163362392
CID 163362392
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
2-aminobutanoic acid;ethane
CID 90764297

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium?
The IUPAC name of [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium (CID 176891524) is [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium.
What is the SMILES notation for [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium?
The canonical SMILES for [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium is C[P+]([O-])=CC[C@H](N)C(=O)O.
What is the InChIKey of [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium?
The InChIKey is HIOZHWPQTKFASH-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10NO3P/c1-10(9)3-2-4(6)5(7)8/h3-4H,2,6H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium?
[(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium has a molecular weight of 163.11 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium is sourced from PubChem (CID 176891524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).