2-[2-(phosphonoamino)propanoylamino]propanoic acid

C6H13N2O6P — CID 20550671

IUPAC2-[2-(phosphonoamino)propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NP(=O)(O)O)C(=O)O
InChIInChI=1S/C6H13N2O6P/c1-3(8-15(12,13)14)5(9)7-4(2)6(10)11/h3-4H,1-2H3,(H,7,9)(H,10,11)(H3,8,12,13,14)
InChIKeyCLIMBNUVYUXMGO-UHFFFAOYSA-N
MW240.15 g/mol
LogP-1.35
Rot. Bonds5

About 2-[2-(phosphonoamino)propanoylamino]propanoic acid

2-[2-(phosphonoamino)propanoylamino]propanoic acid (PubChem CID 20550671) has the molecular formula C6H13N2O6P and a molecular weight of 240.15 g/mol. Its IUPAC name is 2-[2-(phosphonoamino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(phosphonoamino)propanoylamino]propanoic acid
PubChem CID20550671
Molecular FormulaC6H13N2O6P
Molecular Weight240.15 g/mol
Exact Mass240.05
IUPAC Name2-[2-(phosphonoamino)propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NP(=O)(O)O)C(=O)O
InChIInChI=1S/C6H13N2O6P/c1-3(8-15(12,13)14)5(9)7-4(2)6(10)11/h3-4H,1-2H3,(H,7,9)(H,10,11)(H3,8,12,13,14)
InChIKeyCLIMBNUVYUXMGO-UHFFFAOYSA-N
XLogP-1.35
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(phosphonoamino)propanoylamino]propanoic acid 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

(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
CID 11063423
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
2-[2-(propan-2-ylamino)propanoylamino]propanoic acid
CID 178159250
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 92840389
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 5478841
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 16758239
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101209600
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid
CID 4079599
4-(1-carboxyethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498098
(2S)-2-[[(2S)-2-bromopropanoyl]amino]propanoic acid
CID 6933164
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid;hydrate
CID 91872910

Frequently Asked Questions

What is the IUPAC name of 2-[2-(phosphonoamino)propanoylamino]propanoic acid?
The IUPAC name of 2-[2-(phosphonoamino)propanoylamino]propanoic acid (CID 20550671) is 2-[2-(phosphonoamino)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(phosphonoamino)propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-(phosphonoamino)propanoylamino]propanoic acid is CC(NC(=O)C(C)NP(=O)(O)O)C(=O)O.
What is the InChIKey of 2-[2-(phosphonoamino)propanoylamino]propanoic acid?
The InChIKey is CLIMBNUVYUXMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O6P/c1-3(8-15(12,13)14)5(9)7-4(2)6(10)11/h3-4H,1-2H3,(H,7,9)(H,10,11)(H3,8,12,13,14).
What are the key properties of 2-[2-(phosphonoamino)propanoylamino]propanoic acid?
2-[2-(phosphonoamino)propanoylamino]propanoic acid has a molecular weight of 240.15 g/mol, XLogP of -1.35, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phosphonoamino)propanoylamino]propanoic acid is sourced from PubChem (CID 20550671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).