[(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid

C11H12FINO3- — CID 163619235

IUPAC[(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid
SMILESC[I-]C(=O)[C@H](Cc1ccccc1F)NC(=O)O
InChIInChI=1S/C11H12FINO3/c1-13-10(15)9(14-11(16)17)6-7-4-2-3-5-8(7)12/h2-5,9,14H,6H2,1H3,(H,16,17)/q-1/t9-/m0/s1
InChIKeyXOIZFNZVGLZWBX-VIFPVBQESA-N
MW352.12 g/mol
LogP-1.75
Rot. Bonds5

About [(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid

[(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid (PubChem CID 163619235) has the molecular formula C11H12FINO3- and a molecular weight of 352.12 g/mol. Its IUPAC name is [(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid
PubChem CID163619235
Molecular FormulaC11H12FINO3-
Molecular Weight352.12 g/mol
Exact Mass351.99
IUPAC Name[(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid
SMILESC[I-]C(=O)[C@H](Cc1ccccc1F)NC(=O)O
InChIInChI=1S/C11H12FINO3/c1-13-10(15)9(14-11(16)17)6-7-4-2-3-5-8(7)12/h2-5,9,14H,6H2,1H3,(H,16,17)/q-1/t9-/m0/s1
InChIKeyXOIZFNZVGLZWBX-VIFPVBQESA-N
XLogP-1.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.12
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenyl)-3-(methylamino)butan-2-one
CID 76637468
3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid
CID 134271011
2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 155171061
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 95773647
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
(2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7020831
[6-[(2-diethoxyphosphorylacetyl)amino]-1-[[1-(2-fluorophenyl)-3-hydroxypropan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid
CID 137379087
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
CID 114832240

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid (CID 163619235) is [(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid is C[I-]C(=O)[C@H](Cc1ccccc1F)NC(=O)O.
What is the InChIKey of [(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid?
The InChIKey is XOIZFNZVGLZWBX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12FINO3/c1-13-10(15)9(14-11(16)17)6-7-4-2-3-5-8(7)12/h2-5,9,14H,6H2,1H3,(H,16,17)/q-1/t9-/m0/s1.
What are the key properties of [(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid?
[(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid has a molecular weight of 352.12 g/mol, XLogP of -1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 163619235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).