CID 123220286

C10H16BN2O4 — CID 123220286

IUPAC—
SMILESO=C(O[B]OC(=O)[C@H]1CCCN1)[C@H]1CCCN1
InChIInChI=1S/C10H16BN2O4/c14-9(7-3-1-5-12-7)16-11-17-10(15)8-4-2-6-13-8/h7-8,12-13H,1-6H2/t7-,8-/m1/s1
InChIKeyJIEMTBGSXMWQHI-HTQZYQBOSA-N
MW239.06 g/mol
LogP-0.89
Rot. Bonds4

About CID 123220286

CID 123220286 (PubChem CID 123220286) has the molecular formula C10H16BN2O4 and a molecular weight of 239.06 g/mol.

Molecular Properties

Compound NameCID 123220286
PubChem CID123220286
Molecular FormulaC10H16BN2O4
Molecular Weight239.06 g/mol
Exact Mass239.12
IUPAC Name—
SMILESO=C(O[B]OC(=O)[C@H]1CCCN1)[C@H]1CCCN1
InChIInChI=1S/C10H16BN2O4/c14-9(7-3-1-5-12-7)16-11-17-10(15)8-4-2-6-13-8/h7-8,12-13H,1-6H2/t7-,8-/m1/s1
InChIKeyJIEMTBGSXMWQHI-HTQZYQBOSA-N
XLogP-0.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 175049313
CID 175049313
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
ethenyl pyrrolidine-2-carboxylate
CID 77217277
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769

Frequently Asked Questions

What is the IUPAC name of CID 123220286?
The IUPAC name of CID 123220286 (CID 123220286) is not available.
What is the SMILES notation for CID 123220286?
The canonical SMILES for CID 123220286 is O=C(O[B]OC(=O)[C@H]1CCCN1)[C@H]1CCCN1.
What is the InChIKey of CID 123220286?
The InChIKey is JIEMTBGSXMWQHI-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16BN2O4/c14-9(7-3-1-5-12-7)16-11-17-10(15)8-4-2-6-13-8/h7-8,12-13H,1-6H2/t7-,8-/m1/s1.
What are the key properties of CID 123220286?
CID 123220286 has a molecular weight of 239.06 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123220286 is sourced from PubChem (CID 123220286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).