(2-imino-4-oxopentan-3-yl)boronic acid

C5H10BNO3 — CID 123729384

IUPAC(2-imino-4-oxopentan-3-yl)boronic acid
SMILES[H]/N=C(\C)C(B(O)O)C(C)=O
InChIInChI=1S/C5H10BNO3/c1-3(7)5(4(2)8)6(9)10/h5,7,9-10H,1-2H3/b7-3+
InChIKeyWIXNLOPHGNAZRR-XVNBXDOJSA-N
MW142.95 g/mol
LogP-0.54
Rot. Bonds3

About (2-imino-4-oxopentan-3-yl)boronic acid

(2-imino-4-oxopentan-3-yl)boronic acid (PubChem CID 123729384) has the molecular formula C5H10BNO3 and a molecular weight of 142.95 g/mol. Its IUPAC name is (2-imino-4-oxopentan-3-yl)boronic acid.

Molecular Properties

Compound Name(2-imino-4-oxopentan-3-yl)boronic acid
PubChem CID123729384
Molecular FormulaC5H10BNO3
Molecular Weight142.95 g/mol
Exact Mass143.08
IUPAC Name(2-imino-4-oxopentan-3-yl)boronic acid
SMILES[H]/N=C(\C)C(B(O)O)C(C)=O
InChIInChI=1S/C5H10BNO3/c1-3(7)5(4(2)8)6(9)10/h5,7,9-10H,1-2H3/b7-3+
InChIKeyWIXNLOPHGNAZRR-XVNBXDOJSA-N
XLogP-0.54
TPSA81.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.95
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-imino-4-oxopentan-3-yl)boronic acid?
The IUPAC name of (2-imino-4-oxopentan-3-yl)boronic acid (CID 123729384) is (2-imino-4-oxopentan-3-yl)boronic acid.
What is the SMILES notation for (2-imino-4-oxopentan-3-yl)boronic acid?
The canonical SMILES for (2-imino-4-oxopentan-3-yl)boronic acid is [H]/N=C(\C)C(B(O)O)C(C)=O.
What is the InChIKey of (2-imino-4-oxopentan-3-yl)boronic acid?
The InChIKey is WIXNLOPHGNAZRR-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H10BNO3/c1-3(7)5(4(2)8)6(9)10/h5,7,9-10H,1-2H3/b7-3+.
What are the key properties of (2-imino-4-oxopentan-3-yl)boronic acid?
(2-imino-4-oxopentan-3-yl)boronic acid has a molecular weight of 142.95 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imino-4-oxopentan-3-yl)boronic acid is sourced from PubChem (CID 123729384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).