(E,2R)-2-amino-5-phosphonopent-3-enoic acid

C5H10NO5P — CID 14061809

IUPAC(E,2R)-2-amino-5-phosphonopent-3-enoic acid
SMILESN[C@H](/C=C/CP(=O)(O)O)C(=O)O
InChIInChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-2,4H,3,6H2,(H,7,8)(H2,9,10,11)/b2-1+/t4-/m1/s1
InChIKeyTUMOUMLCWZEIRK-ROFOPDMZSA-N
MW195.11 g/mol
LogP-0.87
Rot. Bonds4

About (E,2R)-2-amino-5-phosphonopent-3-enoic acid

(E,2R)-2-amino-5-phosphonopent-3-enoic acid (PubChem CID 14061809) has the molecular formula C5H10NO5P and a molecular weight of 195.11 g/mol. Its IUPAC name is (E,2R)-2-amino-5-phosphonopent-3-enoic acid.

Molecular Properties

Compound Name(E,2R)-2-amino-5-phosphonopent-3-enoic acid
PubChem CID14061809
Molecular FormulaC5H10NO5P
Molecular Weight195.11 g/mol
Exact Mass195.03
IUPAC Name(E,2R)-2-amino-5-phosphonopent-3-enoic acid
SMILESN[C@H](/C=C/CP(=O)(O)O)C(=O)O
InChIInChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-2,4H,3,6H2,(H,7,8)(H2,9,10,11)/b2-1+/t4-/m1/s1
InChIKeyTUMOUMLCWZEIRK-ROFOPDMZSA-N
XLogP-0.87
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,2R)-2-amino-7-phosphonohept-3-enoic acid
CID 88508783
[(E)-4-amino-5-butan-2-yloxy-5-oxopent-2-enyl]phosphonic acid
CID 88508788
(4-amino-5-dodecoxy-5-oxopent-2-enyl)phosphonic acid
CID 54499097
4-phosphonobut-2-enylphosphonic acid
CID 54391538
[(E)-4-phosphonobut-2-enyl]phosphonic acid
CID 19104465
(E,2S)-2-aminooct-3-enoic acid
CID 134212552
(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid
CID 18647022
(2S,3Z)-2-aminohexa-3,5-dienoic acid
CID 11018881
2-amino-2-phosphonoacetic acid
CID 14104870
(E)-2-amino-4-chlorobut-3-enoic acid
CID 130003035
6-phosphonohex-4-enoic acid
CID 173274154
4,4-diethoxybut-2-enylphosphonic acid
CID 74063343

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-amino-5-phosphonopent-3-enoic acid?
The IUPAC name of (E,2R)-2-amino-5-phosphonopent-3-enoic acid (CID 14061809) is (E,2R)-2-amino-5-phosphonopent-3-enoic acid.
What is the SMILES notation for (E,2R)-2-amino-5-phosphonopent-3-enoic acid?
The canonical SMILES for (E,2R)-2-amino-5-phosphonopent-3-enoic acid is N[C@H](/C=C/CP(=O)(O)O)C(=O)O.
What is the InChIKey of (E,2R)-2-amino-5-phosphonopent-3-enoic acid?
The InChIKey is TUMOUMLCWZEIRK-ROFOPDMZSA-N. The full InChI is InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-2,4H,3,6H2,(H,7,8)(H2,9,10,11)/b2-1+/t4-/m1/s1.
What are the key properties of (E,2R)-2-amino-5-phosphonopent-3-enoic acid?
(E,2R)-2-amino-5-phosphonopent-3-enoic acid has a molecular weight of 195.11 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-amino-5-phosphonopent-3-enoic acid is sourced from PubChem (CID 14061809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).