CID 174952903

C11H20BNO4 — CID 174952903

IUPAC—
SMILES[B]OC(=O)C(CCCC)CCCNCC(=O)O
InChIInChI=1S/C11H20BNO4/c1-2-3-5-9(11(16)17-12)6-4-7-13-8-10(14)15/h9,13H,2-8H2,1H3,(H,14,15)
InChIKeyBFGROIQXPFMZTK-UHFFFAOYSA-N
MW241.10 g/mol
LogP0.87
Rot. Bonds10

About CID 174952903

CID 174952903 (PubChem CID 174952903) has the molecular formula C11H20BNO4 and a molecular weight of 241.10 g/mol.

Molecular Properties

Compound NameCID 174952903
PubChem CID174952903
Molecular FormulaC11H20BNO4
Molecular Weight241.10 g/mol
Exact Mass241.15
IUPAC Name—
SMILES[B]OC(=O)C(CCCC)CCCNCC(=O)O
InChIInChI=1S/C11H20BNO4/c1-2-3-5-9(11(16)17-12)6-4-7-13-8-10(14)15/h9,13H,2-8H2,1H3,(H,14,15)
InChIKeyBFGROIQXPFMZTK-UHFFFAOYSA-N
XLogP0.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 174835009
CID 174835009
CID 174952919
CID 174952919
2-aminohexanoic acid;2-aminopentanoic acid;2-(butylamino)acetic acid
CID 174666558
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
2-(4,4-difluorobutylamino)acetic acid
CID 171702884
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
2-(2-butoxyethylamino)acetic acid
CID 61170119
2-(2-butyloctanoyloxy)acetic acid
CID 11601324
N-butylbutan-1-amine;2-ethylhexanoic acid
CID 22182206
2-butyl-6-(pentylamino)hexanoic acid
CID 91087810
CID 174952930
CID 174952930

Frequently Asked Questions

What is the IUPAC name of CID 174952903?
The IUPAC name of CID 174952903 (CID 174952903) is not available.
What is the SMILES notation for CID 174952903?
The canonical SMILES for CID 174952903 is [B]OC(=O)C(CCCC)CCCNCC(=O)O.
What is the InChIKey of CID 174952903?
The InChIKey is BFGROIQXPFMZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BNO4/c1-2-3-5-9(11(16)17-12)6-4-7-13-8-10(14)15/h9,13H,2-8H2,1H3,(H,14,15).
What are the key properties of CID 174952903?
CID 174952903 has a molecular weight of 241.10 g/mol, XLogP of 0.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174952903 is sourced from PubChem (CID 174952903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).