CID 20665408

C2H4BNO2 — CID 20665408

IUPAC—
SMILES[B]C(N)C(=O)O
InChIInChI=1S/C2H4BNO2/c3-1(4)2(5)6/h1H,4H2,(H,5,6)
InChIKeyQVHVFMMPCUERJX-UHFFFAOYSA-N
MW84.87 g/mol
LogP-1.48
Rot. Bonds1

About CID 20665408

CID 20665408 (PubChem CID 20665408) has the molecular formula C2H4BNO2 and a molecular weight of 84.87 g/mol.

Molecular Properties

Compound NameCID 20665408
PubChem CID20665408
Molecular FormulaC2H4BNO2
Molecular Weight84.87 g/mol
Exact Mass85.03
IUPAC Name—
SMILES[B]C(N)C(=O)O
InChIInChI=1S/C2H4BNO2/c3-1(4)2(5)6/h1H,4H2,(H,5,6)
InChIKeyQVHVFMMPCUERJX-UHFFFAOYSA-N
XLogP-1.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.87
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
CID 123173257
CID 123173257
CID 54145284
CID 54145284
(2R)-2-aminopropanoic acid
CID 18611140
CID 86589108
CID 86589108
acetic acid;2,2-diaminoacetic acid
CID 129094898
(2S)-2-aminopropanoic acid;polane
CID 173022618
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458

Frequently Asked Questions

What is the IUPAC name of CID 20665408?
The IUPAC name of CID 20665408 (CID 20665408) is not available.
What is the SMILES notation for CID 20665408?
The canonical SMILES for CID 20665408 is [B]C(N)C(=O)O.
What is the InChIKey of CID 20665408?
The InChIKey is QVHVFMMPCUERJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BNO2/c3-1(4)2(5)6/h1H,4H2,(H,5,6).
What are the key properties of CID 20665408?
CID 20665408 has a molecular weight of 84.87 g/mol, XLogP of -1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20665408 is sourced from PubChem (CID 20665408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).