2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid

C11H24N3O4P — CID 22875441

IUPAC2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
SMILESCPCCC(N)C=O.C[C@H](N)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C6H12N2O3.C5H12NOP/c1-3(7)5(9)8-4(2)6(10)11;1-8-3-2-5(6)4-7/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);4-5,8H,2-3,6H2,1H3/t3-,4-;/m0./s1
InChIKeyRRKPLXAVTAKSTC-MMALYQPHSA-N
MW293.30 g/mol
LogP-0.87
Rot. Bonds7

About 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid

2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid (PubChem CID 22875441) has the molecular formula C11H24N3O4P and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
PubChem CID22875441
Molecular FormulaC11H24N3O4P
Molecular Weight293.30 g/mol
Exact Mass293.15
IUPAC Name2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
SMILESCPCCC(N)C=O.C[C@H](N)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C6H12N2O3.C5H12NOP/c1-3(7)5(9)8-4(2)6(10)11;1-8-3-2-5(6)4-7/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);4-5,8H,2-3,6H2,1H3/t3-,4-;/m0./s1
InChIKeyRRKPLXAVTAKSTC-MMALYQPHSA-N
XLogP-0.87
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-aminoacetic acid;(2R)-2-(2-aminopropanoylamino)propanoic acid
CID 88604532
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
(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
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate
CID 131855428
(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-[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
4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 18218343
2-[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]propanoylamino]propanoic acid
CID 18238530

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
The IUPAC name of 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid (CID 22875441) is 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
The canonical SMILES for 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid is CPCCC(N)C=O.C[C@H](N)C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
The InChIKey is RRKPLXAVTAKSTC-MMALYQPHSA-N. The full InChI is InChI=1S/C6H12N2O3.C5H12NOP/c1-3(7)5(9)8-4(2)6(10)11;1-8-3-2-5(6)4-7/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);4-5,8H,2-3,6H2,1H3/t3-,4-;/m0./s1.
What are the key properties of 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid has a molecular weight of 293.30 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylphosphanylbutanal;(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid is sourced from PubChem (CID 22875441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).