(2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium

C10H11BFmNO5- — CID 166490326

IUPAC(2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium
SMILESO=[C-]N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O.[Fm]
InChIInChI=1S/C10H11BNO5.Fm/c13-6-12-9(10(14)15)5-7-1-3-8(4-2-7)11(16)17;/h1-4,9,16-17H,5H2,(H,12,13)(H,14,15);/q-1;/t9-;/m0./s1
InChIKeyAIWKKYJTRPZYMS-FVGYRXGTSA-N
MW493.01 g/mol
LogP-1.98
Rot. Bonds6

About (2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium

(2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium (PubChem CID 166490326) has the molecular formula C10H11BFmNO5- and a molecular weight of 493.01 g/mol. Its IUPAC name is (2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium.

Molecular Properties

Compound Name(2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium
PubChem CID166490326
Molecular FormulaC10H11BFmNO5-
Molecular Weight493.01 g/mol
Exact Mass493.17
IUPAC Name(2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium
SMILESO=[C-]N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O.[Fm]
InChIInChI=1S/C10H11BNO5.Fm/c13-6-12-9(10(14)15)5-7-1-3-8(4-2-7)11(16)17;/h1-4,9,16-17H,5H2,(H,12,13)(H,14,15);/q-1;/t9-;/m0./s1
InChIKeyAIWKKYJTRPZYMS-FVGYRXGTSA-N
XLogP-1.98
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-3-(4-boronophenyl)propanoic acid
CID 72627400
fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid
CID 166481750
3-(4-boronophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino](113C)propanoic acid
CID 165413551
ethane;fermium;3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-2-(oxomethylamino)propanoic acid
CID 166481792
fermium;2-(oxomethylamino)-4-phenylbutanoic acid
CID 166481870
3-[4-(cyclohexa-1,3-dien-1-ylmethoxy)phenyl]-2-(oxomethylamino)propanoic acid;fermium
CID 168915522
fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid
CID 171093339
(2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium
CID 166481901
4-amino-2-[(4-boronophenyl)methyl]-4-oxobutanoic acid
CID 174055312
(2S)-2-(4-borono-2-fluoroanilino)-3-phenylpropanoic acid
CID 162690468
3-amino-4-(4-boronophenyl)butanoic acid
CID 101099851
fermium;2-(oxomethylamino)-5-phenylpentanoic acid
CID 166481787

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium?
The IUPAC name of (2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium (CID 166490326) is (2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium.
What is the SMILES notation for (2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium?
The canonical SMILES for (2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium is O=[C-]N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O.[Fm].
What is the InChIKey of (2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium?
The InChIKey is AIWKKYJTRPZYMS-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H11BNO5.Fm/c13-6-12-9(10(14)15)5-7-1-3-8(4-2-7)11(16)17;/h1-4,9,16-17H,5H2,(H,12,13)(H,14,15);/q-1;/t9-;/m0./s1.
What are the key properties of (2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium?
(2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium has a molecular weight of 493.01 g/mol, XLogP of -1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-boronophenyl)-2-(oxomethylamino)propanoic acid;fermium is sourced from PubChem (CID 166490326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).