CID 89187834

C15H23BN2O2 — CID 89187834

IUPAC—
SMILES[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])NC[C@@H](O)[C@H](Cc1ccccc1)NC([B])=O
InChIInChI=1S/C15H23BN2O2/c1-11(2)9-17-10-14(19)13(18-15(16)20)8-12-6-4-3-5-7-12/h3-7,11,13-14,17,19H,8-10H2,1-2H3,(H,18,20)/t13-,14+/m0/s1/i1D3,2D3,9D2,11D
InChIKeyYEYKXFWHAIBEIT-OGSLKFPBSA-N
MW283.23 g/mol
LogP1.08
Rot. Bonds10

About CID 89187834

CID 89187834 (PubChem CID 89187834) has the molecular formula C15H23BN2O2 and a molecular weight of 283.23 g/mol.

Molecular Properties

Compound NameCID 89187834
PubChem CID89187834
Molecular FormulaC15H23BN2O2
Molecular Weight283.23 g/mol
Exact Mass283.24
IUPAC Name—
SMILES[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])NC[C@@H](O)[C@H](Cc1ccccc1)NC([B])=O
InChIInChI=1S/C15H23BN2O2/c1-11(2)9-17-10-14(19)13(18-15(16)20)8-12-6-4-3-5-7-12/h3-7,11,13-14,17,19H,8-10H2,1-2H3,(H,18,20)/t13-,14+/m0/s1/i1D3,2D3,9D2,11D
InChIKeyYEYKXFWHAIBEIT-OGSLKFPBSA-N
XLogP1.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 59815784
CID 59815784
N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide
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[(2S,3S)-3-hydroxy-4-[(2-hydroxy-2-phenylethyl)amino]-1-phenylbutan-2-yl]carbamic acid
CID 69439631
[(2S,3S)-4-(3,3-dimethylbutylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70144987
[4-(carboxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 19070976
[4-[(4-cyano-2,2-dimethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 22996389
ethane;[3-hydroxy-4-(methylamino)-1-phenylbutan-2-yl]carbamothioic S-acid
CID 143203127
[(2S,3R)-3-hydroxy-1-phenyl-4-(4-phenylbutylamino)butan-2-yl]carbamic acid
CID 68608862
[(2S,3R)-3-hydroxy-4-(3-methoxypropylamino)-1-phenylbutan-2-yl]carbamic acid
CID 68608817
N-[(2S,3R)-4-(cyclopentylmethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 59132104
(2S)-2-hydroxy-N-[(2S,3S)-3-hydroxy-4-[[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-3-methylbutanamide
CID 167012092
3-[3-hydroxy-1-phenyl-4-(2-phenylethylamino)butan-2-yl]-1-methyl-1-phenylurea
CID 67677545

Frequently Asked Questions

What is the IUPAC name of CID 89187834?
The IUPAC name of CID 89187834 (CID 89187834) is not available.
What is the SMILES notation for CID 89187834?
The canonical SMILES for CID 89187834 is [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])NC[C@@H](O)[C@H](Cc1ccccc1)NC([B])=O.
What is the InChIKey of CID 89187834?
The InChIKey is YEYKXFWHAIBEIT-OGSLKFPBSA-N. The full InChI is InChI=1S/C15H23BN2O2/c1-11(2)9-17-10-14(19)13(18-15(16)20)8-12-6-4-3-5-7-12/h3-7,11,13-14,17,19H,8-10H2,1-2H3,(H,18,20)/t13-,14+/m0/s1/i1D3,2D3,9D2,11D.
What are the key properties of CID 89187834?
CID 89187834 has a molecular weight of 283.23 g/mol, XLogP of 1.08, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89187834 is sourced from PubChem (CID 89187834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).