2-(methylamino)-3-phosphonopropanoic acid

C4H10NO5P — CID 10103830

IUPAC2-(methylamino)-3-phosphonopropanoic acid
SMILESCNC(CP(=O)(O)O)C(=O)O
InChIInChI=1S/C4H10NO5P/c1-5-3(4(6)7)2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeyFHDFQBMDFQAPIV-UHFFFAOYSA-N
MW183.10 g/mol
LogP-1.16
Rot. Bonds4

About 2-(methylamino)-3-phosphonopropanoic acid

2-(methylamino)-3-phosphonopropanoic acid (PubChem CID 10103830) has the molecular formula C4H10NO5P and a molecular weight of 183.10 g/mol. Its IUPAC name is 2-(methylamino)-3-phosphonopropanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-phosphonopropanoic acid
PubChem CID10103830
Molecular FormulaC4H10NO5P
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name2-(methylamino)-3-phosphonopropanoic acid
SMILESCNC(CP(=O)(O)O)C(=O)O
InChIInChI=1S/C4H10NO5P/c1-5-3(4(6)7)2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeyFHDFQBMDFQAPIV-UHFFFAOYSA-N
XLogP-1.16
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-1.16
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 2-(methylamino)-3-phosphonopropanoic acid?
The IUPAC name of 2-(methylamino)-3-phosphonopropanoic acid (CID 10103830) is 2-(methylamino)-3-phosphonopropanoic acid.
What is the SMILES notation for 2-(methylamino)-3-phosphonopropanoic acid?
The canonical SMILES for 2-(methylamino)-3-phosphonopropanoic acid is CNC(CP(=O)(O)O)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-phosphonopropanoic acid?
The InChIKey is FHDFQBMDFQAPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO5P/c1-5-3(4(6)7)2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10).
What are the key properties of 2-(methylamino)-3-phosphonopropanoic acid?
2-(methylamino)-3-phosphonopropanoic acid has a molecular weight of 183.10 g/mol, XLogP of -1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-phosphonopropanoic acid is sourced from PubChem (CID 10103830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).