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

C11H11FN2O2 — CID 144798694

IUPAC(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
SMILESN[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)F
InChIInChI=1S/C11H11FN2O2/c12-11(16)9(13)3-6-5-14-10-2-1-7(15)4-8(6)10/h1-2,4-5,9,14-15H,3,13H2/t9-/m0/s1
InChIKeyLKUXWWBMHAPQHA-VIFPVBQESA-N
MW222.22 g/mol
LogP1.24
Rot. Bonds3

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

(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride (PubChem CID 144798694) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
PubChem CID144798694
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
SMILESN[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)F
InChIInChI=1S/C11H11FN2O2/c12-11(16)9(13)3-6-5-14-10-2-1-7(15)4-8(6)10/h1-2,4-5,9,14-15H,3,13H2/t9-/m0/s1
InChIKeyLKUXWWBMHAPQHA-VIFPVBQESA-N
XLogP1.24
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide
CID 19862462
(2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 13117400
2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11218575
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(5-hydroxy-4-nitro-1H-indol-3-yl)propanoic acid
CID 160951159
3-(2-amino-2-carboxyethyl)-1H-indole-5-carboxylic acid
CID 22669189
(2-butoxy-2-oxoethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 13117392
(2S)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 138734505
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride?
The IUPAC name of (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride (CID 144798694) is (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride.
What is the SMILES notation for (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride?
The canonical SMILES for (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride is N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)F.
What is the InChIKey of (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride?
The InChIKey is LKUXWWBMHAPQHA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-11(16)9(13)3-6-5-14-10-2-1-7(15)4-8(6)10/h1-2,4-5,9,14-15H,3,13H2/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride?
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride has a molecular weight of 222.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride is sourced from PubChem (CID 144798694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).