azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron

C5H15N2O4P — CID 162393569

IUPACazanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron
SMILESCP(=O)([O-])CCC(N)C(=O)[O-].[H+].[NH4+]
InChIInChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3
InChIKeyZBMRKNMTMPPMMK-UHFFFAOYSA-N
MW198.16 g/mol
LogP-1.79
Rot. Bonds4

About azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron

azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron (PubChem CID 162393569) has the molecular formula C5H15N2O4P and a molecular weight of 198.16 g/mol. Its IUPAC name is azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron.

Molecular Properties

Compound Nameazanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron
PubChem CID162393569
Molecular FormulaC5H15N2O4P
Molecular Weight198.16 g/mol
Exact Mass198.08
IUPAC Nameazanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron
SMILESCP(=O)([O-])CCC(N)C(=O)[O-].[H+].[NH4+]
InChIInChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3
InChIKeyZBMRKNMTMPPMMK-UHFFFAOYSA-N
XLogP-1.79
TPSA142.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron?
The IUPAC name of azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron (CID 162393569) is azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron.
What is the SMILES notation for azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron?
The canonical SMILES for azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron is CP(=O)([O-])CCC(N)C(=O)[O-].[H+].[NH4+].
What is the InChIKey of azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron?
The InChIKey is ZBMRKNMTMPPMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3.
What are the key properties of azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron?
azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron has a molecular weight of 198.16 g/mol, XLogP of -1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron is sourced from PubChem (CID 162393569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).