(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride

C11H11FN2O — CID 175991895

IUPAC(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)F
InChIInChI=1S/C11H11FN2O/c12-11(15)9(13)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,13H2/t9-/m1/s1
InChIKeyONLCZIFFICKWNN-SECBINFHSA-N
MW206.22 g/mol
LogP1.53
Rot. Bonds3

About (2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride

(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride (PubChem CID 175991895) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
PubChem CID175991895
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)F
InChIInChI=1S/C11H11FN2O/c12-11(15)9(13)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,13H2/t9-/m1/s1
InChIKeyONLCZIFFICKWNN-SECBINFHSA-N
XLogP1.53
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)
CID 172797922
sulfanyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 175583817
2-amino-3-(1H-indol-3-yl)propanoic acid;sulfuric acid
CID 19909490
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;phenol
CID 160637775
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
CID 144798694
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride?
The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride (CID 175991895) is (2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride.
What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride?
The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride is N[C@H](Cc1c[nH]c2ccccc12)C(=O)F.
What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride?
The InChIKey is ONLCZIFFICKWNN-SECBINFHSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-11(15)9(13)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,13H2/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride?
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride has a molecular weight of 206.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride is sourced from PubChem (CID 175991895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).