CID 87153381

C10H18BNO4 — CID 87153381

IUPAC—
SMILES[B][C@@H]1O[C@H](CC)C(O)[C@@H]1O[C@H](C)C(=O)NC
InChIInChI=1S/C10H18BNO4/c1-4-6-7(13)8(9(11)16-6)15-5(2)10(14)12-3/h5-9,13H,4H2,1-3H3,(H,12,14)/t5-,6-,7?,8+,9-/m1/s1
InChIKeyOZLNEIKZCKYABB-QVEDDBAWSA-N
MW227.07 g/mol
LogP-0.83
Rot. Bonds4

About CID 87153381

CID 87153381 (PubChem CID 87153381) has the molecular formula C10H18BNO4 and a molecular weight of 227.07 g/mol.

Molecular Properties

Compound NameCID 87153381
PubChem CID87153381
Molecular FormulaC10H18BNO4
Molecular Weight227.07 g/mol
Exact Mass227.13
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC)C(O)[C@@H]1O[C@H](C)C(=O)NC
InChIInChI=1S/C10H18BNO4/c1-4-6-7(13)8(9(11)16-6)15-5(2)10(14)12-3/h5-9,13H,4H2,1-3H3,(H,12,14)/t5-,6-,7?,8+,9-/m1/s1
InChIKeyOZLNEIKZCKYABB-QVEDDBAWSA-N
XLogP-0.83
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 88533246
CID 87153392
CID 87153392
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CID 88533248
CID 87153348
CID 87153348
2-ethyl-6-propan-2-yloxane-3,4,5-triol
CID 71288921
CID 160612010
CID 160612010
CID 58870598
CID 58870598
CID 88572284
CID 88572284
(3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide
CID 160616233
N-methyl-2-[2-(methylamino)cyclohexyl]oxypropanamide
CID 102633381
(2R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
CID 7058171
azanium (2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoate
CID 10970944

Frequently Asked Questions

What is the IUPAC name of CID 87153381?
The IUPAC name of CID 87153381 (CID 87153381) is not available.
What is the SMILES notation for CID 87153381?
The canonical SMILES for CID 87153381 is [B][C@@H]1O[C@H](CC)C(O)[C@@H]1O[C@H](C)C(=O)NC.
What is the InChIKey of CID 87153381?
The InChIKey is OZLNEIKZCKYABB-QVEDDBAWSA-N. The full InChI is InChI=1S/C10H18BNO4/c1-4-6-7(13)8(9(11)16-6)15-5(2)10(14)12-3/h5-9,13H,4H2,1-3H3,(H,12,14)/t5-,6-,7?,8+,9-/m1/s1.
What are the key properties of CID 87153381?
CID 87153381 has a molecular weight of 227.07 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87153381 is sourced from PubChem (CID 87153381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).