CID 88582821

C13H25BN2O2 — CID 88582821

IUPAC—
SMILES[B]CCCC[C@](N)(CCN1CCCCC1)C(=O)O
InChIInChI=1S/C13H25BN2O2/c14-8-3-2-6-13(15,12(17)18)7-11-16-9-4-1-5-10-16/h1-11,15H2,(H,17,18)/t13-/m0/s1
InChIKeyGUXJXFQQMVATMH-ZDUSSCGKSA-N
MW252.17 g/mol
LogP1.40
Rot. Bonds8

About CID 88582821

CID 88582821 (PubChem CID 88582821) has the molecular formula C13H25BN2O2 and a molecular weight of 252.17 g/mol.

Molecular Properties

Compound NameCID 88582821
PubChem CID88582821
Molecular FormulaC13H25BN2O2
Molecular Weight252.17 g/mol
Exact Mass252.20
IUPAC Name—
SMILES[B]CCCC[C@](N)(CCN1CCCCC1)C(=O)O
InChIInChI=1S/C13H25BN2O2/c14-8-3-2-6-13(15,12(17)18)7-11-16-9-4-1-5-10-16/h1-11,15H2,(H,17,18)/t13-/m0/s1
InChIKeyGUXJXFQQMVATMH-ZDUSSCGKSA-N
XLogP1.40
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 88582520
CID 88582520
CID 88582619
CID 88582619
CID 88582628
CID 88582628
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CID 88582722
CID 88582722
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CID 67453657
2-amino-6-borono-2-[2-(4-hydroxypiperidin-1-yl)ethyl]hexanoic acid;dihydrochloride
CID 66833071
(2R)-2-amino-6-borono-2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride
CID 66832804
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861
2-amino-6-borono-2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid;hydrate;dihydrochloride
CID 66832768
2-amino-6-borono-2-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]hexanoic acid
CID 174692427
carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 70077869

Frequently Asked Questions

What is the IUPAC name of CID 88582821?
The IUPAC name of CID 88582821 (CID 88582821) is not available.
What is the SMILES notation for CID 88582821?
The canonical SMILES for CID 88582821 is [B]CCCC[C@](N)(CCN1CCCCC1)C(=O)O.
What is the InChIKey of CID 88582821?
The InChIKey is GUXJXFQQMVATMH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25BN2O2/c14-8-3-2-6-13(15,12(17)18)7-11-16-9-4-1-5-10-16/h1-11,15H2,(H,17,18)/t13-/m0/s1.
What are the key properties of CID 88582821?
CID 88582821 has a molecular weight of 252.17 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88582821 is sourced from PubChem (CID 88582821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).