CID 89024424

C6H10BNO2 — CID 89024424

IUPAC—
SMILES[B]N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C6H10BNO2/c7-8-3-1-2-5(4-8)6(9)10/h5H,1-4H2,(H,9,10)/t5-/m1/s1
InChIKeyGLOXIGXGWDBBLR-RXMQYKEDSA-N
MW138.96 g/mol
LogP-0.13
Rot. Bonds1

About CID 89024424

CID 89024424 (PubChem CID 89024424) has the molecular formula C6H10BNO2 and a molecular weight of 138.96 g/mol.

Molecular Properties

Compound NameCID 89024424
PubChem CID89024424
Molecular FormulaC6H10BNO2
Molecular Weight138.96 g/mol
Exact Mass139.08
IUPAC Name—
SMILES[B]N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C6H10BNO2/c7-8-3-1-2-5(4-8)6(9)10/h5H,1-4H2,(H,9,10)/t5-/m1/s1
InChIKeyGLOXIGXGWDBBLR-RXMQYKEDSA-N
XLogP-0.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.96
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 89024424 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

(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-acetylpiperidine-3-carboxylic acid
CID 14043896
(3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylic acid
CID 28869402
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
2,3,4,6,7,8,9,10-octahydro-1H-pyridazino[1,2-a]diazepine-3-carboxylic acid
CID 135290361
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
1-methylsulfanylpiperidine-3-carboxylic acid
CID 134268162
(3S)-1-(2-propan-2-ylsulfanylacetyl)piperidine-3-carboxylic acid
CID 81126040

Frequently Asked Questions

What is the IUPAC name of CID 89024424?
The IUPAC name of CID 89024424 (CID 89024424) is not available.
What is the SMILES notation for CID 89024424?
The canonical SMILES for CID 89024424 is [B]N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of CID 89024424?
The InChIKey is GLOXIGXGWDBBLR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10BNO2/c7-8-3-1-2-5(4-8)6(9)10/h5H,1-4H2,(H,9,10)/t5-/m1/s1.
What are the key properties of CID 89024424?
CID 89024424 has a molecular weight of 138.96 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89024424 is sourced from PubChem (CID 89024424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).