(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride

C6H8FN3O — CID 54364625

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)F
InChIInChI=1S/C6H8FN3O/c7-6(11)5(8)1-4-2-9-3-10-4/h2-3,5H,1,8H2,(H,9,10)/t5-/m0/s1
InChIKeyUOXKDANLOBHVBJ-YFKPBYRVSA-N
MW157.15 g/mol
LogP-0.22
Rot. Bonds3

About (2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride

(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride (PubChem CID 54364625) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride
PubChem CID54364625
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)F
InChIInChI=1S/C6H8FN3O/c7-6(11)5(8)1-4-2-9-3-10-4/h2-3,5H,1,8H2,(H,9,10)/t5-/m0/s1
InChIKeyUOXKDANLOBHVBJ-YFKPBYRVSA-N
XLogP-0.22
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride (CID 54364625) is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride is N[C@@H](Cc1cnc[nH]1)C(=O)F.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride?
The InChIKey is UOXKDANLOBHVBJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8FN3O/c7-6(11)5(8)1-4-2-9-3-10-4/h2-3,5H,1,8H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride?
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride has a molecular weight of 157.15 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl fluoride is sourced from PubChem (CID 54364625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).