CID 175049313

C5H9BNO3 — CID 175049313

IUPAC—
SMILESO=C(O[B]O)[C@@H]1CCCN1
InChIInChI=1S/C5H9BNO3/c8-5(10-6-9)4-2-1-3-7-4/h4,7,9H,1-3H2/t4-/m0/s1
InChIKeyQGNMMCDNOXNSCY-BYPYZUCNSA-N
MW141.94 g/mol
LogP-1.19
Rot. Bonds2

About CID 175049313

CID 175049313 (PubChem CID 175049313) has the molecular formula C5H9BNO3 and a molecular weight of 141.94 g/mol.

Molecular Properties

Compound NameCID 175049313
PubChem CID175049313
Molecular FormulaC5H9BNO3
Molecular Weight141.94 g/mol
Exact Mass142.07
IUPAC Name—
SMILESO=C(O[B]O)[C@@H]1CCCN1
InChIInChI=1S/C5H9BNO3/c8-5(10-6-9)4-2-1-3-7-4/h4,7,9H,1-3H2/t4-/m0/s1
InChIKeyQGNMMCDNOXNSCY-BYPYZUCNSA-N
XLogP-1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.94
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 175049313 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 123220286
CID 123220286
[(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
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
(2-methylcyclohexyl) pyrrolidine-2-carboxylate
CID 60716745
(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate
CID 98102285
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560

Frequently Asked Questions

What is the IUPAC name of CID 175049313?
The IUPAC name of CID 175049313 (CID 175049313) is not available.
What is the SMILES notation for CID 175049313?
The canonical SMILES for CID 175049313 is O=C(O[B]O)[C@@H]1CCCN1.
What is the InChIKey of CID 175049313?
The InChIKey is QGNMMCDNOXNSCY-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9BNO3/c8-5(10-6-9)4-2-1-3-7-4/h4,7,9H,1-3H2/t4-/m0/s1.
What are the key properties of CID 175049313?
CID 175049313 has a molecular weight of 141.94 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175049313 is sourced from PubChem (CID 175049313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).