CID 174952934

C13H24BNO3 — CID 174952934

IUPAC—
SMILES[B]C(CCCC)(C(=O)O)C(CC)C1CNCCO1
InChIInChI=1S/C13H24BNO3/c1-3-5-6-13(14,12(16)17)10(4-2)11-9-15-7-8-18-11/h10-11,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyHTGDFMUXDFXRKB-UHFFFAOYSA-N
MW253.15 g/mol
LogP1.60
Rot. Bonds7

About CID 174952934

CID 174952934 (PubChem CID 174952934) has the molecular formula C13H24BNO3 and a molecular weight of 253.15 g/mol.

Molecular Properties

Compound NameCID 174952934
PubChem CID174952934
Molecular FormulaC13H24BNO3
Molecular Weight253.15 g/mol
Exact Mass253.18
IUPAC Name—
SMILES[B]C(CCCC)(C(=O)O)C(CC)C1CNCCO1
InChIInChI=1S/C13H24BNO3/c1-3-5-6-13(14,12(16)17)10(4-2)11-9-15-7-8-18-11/h10-11,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyHTGDFMUXDFXRKB-UHFFFAOYSA-N
XLogP1.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 174952934 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 175323655
CID 175323655
N-(1-morpholin-2-ylpropyl)acetamide
CID 121284793
2-morpholin-2-ylbutanamide
CID 174480619
1-morpholin-2-ylethyl decanoate
CID 174600549
(2R)-2-[(2S)-butan-2-yl]morpholine
CID 57122298
3-hydroxy-2-morpholin-2-ylpropanoic acid
CID 174661676
N-(1-morpholin-2-ylpropyl)octadecan-1-amine
CID 174448708
ethyl 2-(methylamino)-2-morpholin-2-ylacetate
CID 57144411
CID 174692423
CID 174692423
2-methylmorpholine;2,2,2-trifluoroacetic acid
CID 68841730
1-morpholin-2-ylhexadecan-1-one
CID 70404670
1-morpholin-2-yloctan-1-one
CID 70601940

Frequently Asked Questions

What is the IUPAC name of CID 174952934?
The IUPAC name of CID 174952934 (CID 174952934) is not available.
What is the SMILES notation for CID 174952934?
The canonical SMILES for CID 174952934 is [B]C(CCCC)(C(=O)O)C(CC)C1CNCCO1.
What is the InChIKey of CID 174952934?
The InChIKey is HTGDFMUXDFXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BNO3/c1-3-5-6-13(14,12(16)17)10(4-2)11-9-15-7-8-18-11/h10-11,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of CID 174952934?
CID 174952934 has a molecular weight of 253.15 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174952934 is sourced from PubChem (CID 174952934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).