[(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid

C8H18N3O5P — CID 54524014

IUPAC[(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)P(=O)(O)O
InChIInChI=1S/C8H18N3O5P/c1-4(9)7(12)10-5(2)8(13)11-6(3)17(14,15)16/h4-6H,9H2,1-3H3,(H,10,12)(H,11,13)(H2,14,15,16)/t4-,5-,6+/m0/s1
InChIKeyYRVLXUKRIFZZRC-HCWXCVPCSA-N
MW267.22 g/mol
LogP-1.52
Rot. Bonds5

About [(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid

[(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid (PubChem CID 54524014) has the molecular formula C8H18N3O5P and a molecular weight of 267.22 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
PubChem CID54524014
Molecular FormulaC8H18N3O5P
Molecular Weight267.22 g/mol
Exact Mass267.10
IUPAC Name[(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)P(=O)(O)O
InChIInChI=1S/C8H18N3O5P/c1-4(9)7(12)10-5(2)8(13)11-6(3)17(14,15)16/h4-6H,9H2,1-3H3,(H,10,12)(H,11,13)(H2,14,15,16)/t4-,5-,6+/m0/s1
InChIKeyYRVLXUKRIFZZRC-HCWXCVPCSA-N
XLogP-1.52
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 5-1.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[(2S)-2-aminopropanoyl]amino]ethylphosphonic acid
CID 12757031
(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
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
(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
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid;hydrate
CID 91872910
[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54374404
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid
CID 131888538

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid?
The IUPAC name of [(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid (CID 54524014) is [(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid?
The canonical SMILES for [(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid is C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)P(=O)(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid?
The InChIKey is YRVLXUKRIFZZRC-HCWXCVPCSA-N. The full InChI is InChI=1S/C8H18N3O5P/c1-4(9)7(12)10-5(2)8(13)11-6(3)17(14,15)16/h4-6H,9H2,1-3H3,(H,10,12)(H,11,13)(H2,14,15,16)/t4-,5-,6+/m0/s1.
What are the key properties of [(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid?
[(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid has a molecular weight of 267.22 g/mol, XLogP of -1.52, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid is sourced from PubChem (CID 54524014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).