CID 89009885

C10H16BNO3 — CID 89009885

IUPAC—
SMILES[B]NC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C10H16BNO3/c11-12-8(13)7-10(9(14)15)5-3-1-2-4-6-10/h1-7H2,(H,12,13)(H,14,15)
InChIKeyYJXAYIYOBAZPSU-UHFFFAOYSA-N
MW209.05 g/mol
LogP1.00
Rot. Bonds3

About CID 89009885

CID 89009885 (PubChem CID 89009885) has the molecular formula C10H16BNO3 and a molecular weight of 209.05 g/mol.

Molecular Properties

Compound NameCID 89009885
PubChem CID89009885
Molecular FormulaC10H16BNO3
Molecular Weight209.05 g/mol
Exact Mass209.12
IUPAC Name—
SMILES[B]NC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C10H16BNO3/c11-12-8(13)7-10(9(14)15)5-3-1-2-4-6-10/h1-7H2,(H,12,13)(H,14,15)
InChIKeyYJXAYIYOBAZPSU-UHFFFAOYSA-N
XLogP1.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(carboxymethyl)cyclotridecane-1-carboxylic acid
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1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 83005184
1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 65108325
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclohexane-1-carboxylic acid
CID 83004969
1-[2-(2-cyanoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54867554
1-[2-oxo-2-(prop-2-enylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529261
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 79358096
1-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60889868

Frequently Asked Questions

What is the IUPAC name of CID 89009885?
The IUPAC name of CID 89009885 (CID 89009885) is not available.
What is the SMILES notation for CID 89009885?
The canonical SMILES for CID 89009885 is [B]NC(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of CID 89009885?
The InChIKey is YJXAYIYOBAZPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BNO3/c11-12-8(13)7-10(9(14)15)5-3-1-2-4-6-10/h1-7H2,(H,12,13)(H,14,15).
What are the key properties of CID 89009885?
CID 89009885 has a molecular weight of 209.05 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89009885 is sourced from PubChem (CID 89009885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).