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

C5H13N2O4P — CID 12757032

IUPAC[(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid
SMILESC[C@H](N)C(=O)N[C@H](C)P(=O)(O)O
InChIInChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4-/m0/s1
InChIKeyBHAYDBSYOBONRV-IMJSIDKUSA-N
MW196.14 g/mol
LogP-1.03
Rot. Bonds3

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

[(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid (PubChem CID 12757032) has the molecular formula C5H13N2O4P and a molecular weight of 196.14 g/mol. Its IUPAC name is [(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid.

Molecular Properties

Compound Name[(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid
PubChem CID12757032
Molecular FormulaC5H13N2O4P
Molecular Weight196.14 g/mol
Exact Mass196.06
IUPAC Name[(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid
SMILESC[C@H](N)C(=O)N[C@H](C)P(=O)(O)O
InChIInChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4-/m0/s1
InChIKeyBHAYDBSYOBONRV-IMJSIDKUSA-N
XLogP-1.03
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-1.03
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 [(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid?
The IUPAC name of [(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid (CID 12757032) is [(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid.
What is the SMILES notation for [(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid?
The canonical SMILES for [(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid is C[C@H](N)C(=O)N[C@H](C)P(=O)(O)O.
What is the InChIKey of [(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid?
The InChIKey is BHAYDBSYOBONRV-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4-/m0/s1.
What are the key properties of [(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid?
[(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid has a molecular weight of 196.14 g/mol, XLogP of -1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid is sourced from PubChem (CID 12757032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).