N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid

C4H9BFNO2 — CID 58093306

IUPACN-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid
SMILESCB(O)NC[C@@H](F)C=O
InChIInChI=1S/C4H9BFNO2/c1-5(9)7-2-4(6)3-8/h3-4,7,9H,2H2,1H3/t4-/m1/s1
InChIKeyLDHHNXDRYQPHFV-SCSAIBSYSA-N
MW132.93 g/mol
LogP-0.78
Rot. Bonds4

About N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid

N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid (PubChem CID 58093306) has the molecular formula C4H9BFNO2 and a molecular weight of 132.93 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid
PubChem CID58093306
Molecular FormulaC4H9BFNO2
Molecular Weight132.93 g/mol
Exact Mass133.07
IUPAC NameN-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid
SMILESCB(O)NC[C@@H](F)C=O
InChIInChI=1S/C4H9BFNO2/c1-5(9)7-2-4(6)3-8/h3-4,7,9H,2H2,1H3/t4-/m1/s1
InChIKeyLDHHNXDRYQPHFV-SCSAIBSYSA-N
XLogP-0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.93
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 58583120
CID 58583120
CID 58409164
CID 58409164
(4S)-4-bromo-2-fluoropentanal
CID 146406697
(2S)-2-fluorohexadecanal
CID 134857256
N-[6-hydroperoxy-5-[(2,2,2-trifluoroacetyl)amino]hexyl]-methylboronamidic acid
CID 59913057
(2S)-2-fluoropropanal
CID 98007652
(2S)-3-fluoro-2-hydroxypropanal
CID 130737258
2-fluoro-5,5-dimethoxypentanal
CID 55267389
N-(6-hydroxy-5-methylhexyl)-methylboronamidic acid
CID 59798856
(Z,2R)-2-fluorodec-7-enal
CID 134894209
[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid
CID 87527949
acetaldehyde;ethane;methane;methylboronic acid
CID 160616162

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid?
The IUPAC name of N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid (CID 58093306) is N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid.
What is the SMILES notation for N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid?
The canonical SMILES for N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid is CB(O)NC[C@@H](F)C=O.
What is the InChIKey of N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid?
The InChIKey is LDHHNXDRYQPHFV-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9BFNO2/c1-5(9)7-2-4(6)3-8/h3-4,7,9H,2H2,1H3/t4-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid?
N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid has a molecular weight of 132.93 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid is sourced from PubChem (CID 58093306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).