(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid

C5H9FNO5P — CID 18647022

IUPAC(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid
SMILESN[C@H](/C=C(/F)CP(=O)(O)O)C(=O)O
InChIInChI=1S/C5H9FNO5P/c6-3(2-13(10,11)12)1-4(7)5(8)9/h1,4H,2,7H2,(H,8,9)(H2,10,11,12)/b3-1+/t4-/m1/s1
InChIKeyIKLNFASODYJDAD-JBGILVFVSA-N
MW213.10 g/mol
LogP-0.57
Rot. Bonds4

About (E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid

(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid (PubChem CID 18647022) has the molecular formula C5H9FNO5P and a molecular weight of 213.10 g/mol. Its IUPAC name is (E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid.

Molecular Properties

Compound Name(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid
PubChem CID18647022
Molecular FormulaC5H9FNO5P
Molecular Weight213.10 g/mol
Exact Mass213.02
IUPAC Name(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid
SMILESN[C@H](/C=C(/F)CP(=O)(O)O)C(=O)O
InChIInChI=1S/C5H9FNO5P/c6-3(2-13(10,11)12)1-4(7)5(8)9/h1,4H,2,7H2,(H,8,9)(H2,10,11,12)/b3-1+/t4-/m1/s1
InChIKeyIKLNFASODYJDAD-JBGILVFVSA-N
XLogP-0.57
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid
CID 171319241
(E)-2-amino-4-(phosphonomethyl)oct-3-enoic acid
CID 88508906
(E,2R)-2-amino-4-methyl-7-phosphonohept-3-enoic acid
CID 88509040
(E,2R)-2-amino-5-phosphonopent-3-enoic acid
CID 14061809
2-amino-4-methyl-5-phosphononon-3-enoic acid
CID 175126578
(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid
CID 88508917
2-phosphonoacetic acid;zirconium
CID 87438381
2-amino-2-phosphonoacetic acid
CID 14104870
(E,2R)-2-amino-7-phosphonohept-3-enoic acid
CID 88508783
(E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid
CID 88633321
2-amino-3-sulfonylpropanoic acid
CID 22381085
(3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid
CID 87704037

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid?
The IUPAC name of (E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid (CID 18647022) is (E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid.
What is the SMILES notation for (E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid?
The canonical SMILES for (E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid is N[C@H](/C=C(/F)CP(=O)(O)O)C(=O)O.
What is the InChIKey of (E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid?
The InChIKey is IKLNFASODYJDAD-JBGILVFVSA-N. The full InChI is InChI=1S/C5H9FNO5P/c6-3(2-13(10,11)12)1-4(7)5(8)9/h1,4H,2,7H2,(H,8,9)(H2,10,11,12)/b3-1+/t4-/m1/s1.
What are the key properties of (E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid?
(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid has a molecular weight of 213.10 g/mol, XLogP of -0.57, 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-4-fluoro-5-phosphonopent-3-enoic acid is sourced from PubChem (CID 18647022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).