CID 101226420

C4H8BN2O3- — CID 101226420

IUPAC—
SMILESC[C@H](N[B-]C(=O)O)C(N)=O
InChIInChI=1S/C4H8BN2O3/c1-2(3(6)8)7-5-4(9)10/h2,7H,1H3,(H2,6,8)(H,9,10)/q-1/t2-/m0/s1
InChIKeyIOHXJDLEVQLWAS-REOHCLBHSA-N
MW142.93 g/mol
LogP-1.25
Rot. Bonds4

About CID 101226420

CID 101226420 (PubChem CID 101226420) has the molecular formula C4H8BN2O3- and a molecular weight of 142.93 g/mol.

Molecular Properties

Compound NameCID 101226420
PubChem CID101226420
Molecular FormulaC4H8BN2O3-
Molecular Weight142.93 g/mol
Exact Mass143.06
IUPAC Name—
SMILESC[C@H](N[B-]C(=O)O)C(N)=O
InChIInChI=1S/C4H8BN2O3/c1-2(3(6)8)7-5-4(9)10/h2,7H,1H3,(H2,6,8)(H,9,10)/q-1/t2-/m0/s1
InChIKeyIOHXJDLEVQLWAS-REOHCLBHSA-N
XLogP-1.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.93
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101226420?
The IUPAC name of CID 101226420 (CID 101226420) is not available.
What is the SMILES notation for CID 101226420?
The canonical SMILES for CID 101226420 is C[C@H](N[B-]C(=O)O)C(N)=O.
What is the InChIKey of CID 101226420?
The InChIKey is IOHXJDLEVQLWAS-REOHCLBHSA-N. The full InChI is InChI=1S/C4H8BN2O3/c1-2(3(6)8)7-5-4(9)10/h2,7H,1H3,(H2,6,8)(H,9,10)/q-1/t2-/m0/s1.
What are the key properties of CID 101226420?
CID 101226420 has a molecular weight of 142.93 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101226420 is sourced from PubChem (CID 101226420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).