[4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid

C9H14BNO3 — CID 101159032

IUPAC[4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid
SMILESN[C@@H](CO)Cc1ccc(B(O)O)cc1
InChIInChI=1S/C9H14BNO3/c11-9(6-12)5-7-1-3-8(4-2-7)10(13)14/h1-4,9,12-14H,5-6,11H2/t9-/m1/s1
InChIKeyPXLCSHVXTZAPBB-SECBINFHSA-N
MW195.03 g/mol
LogP-1.77
Rot. Bonds4

About [4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid

[4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid (PubChem CID 101159032) has the molecular formula C9H14BNO3 and a molecular weight of 195.03 g/mol. Its IUPAC name is [4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid
PubChem CID101159032
Molecular FormulaC9H14BNO3
Molecular Weight195.03 g/mol
Exact Mass195.11
IUPAC Name[4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid
SMILESN[C@@H](CO)Cc1ccc(B(O)O)cc1
InChIInChI=1S/C9H14BNO3/c11-9(6-12)5-7-1-3-8(4-2-7)10(13)14/h1-4,9,12-14H,5-6,11H2/t9-/m1/s1
InChIKeyPXLCSHVXTZAPBB-SECBINFHSA-N
XLogP-1.77
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.03
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
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 10297
Cathine
CID 441457
phenylalaninol, (S)-
CID 447213
(-)-Norpseudoephedrine
CID 162265
(1S,2R)-(+)-Norephedrine
CID 4786
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
phenylalaninol, (R)-
CID 853475
DL-Phenylalaninol
CID 76652
Benzenepentanol, delta-amino-
CID 99992
2-Amino-1-phenylbutan-1-ol
CID 22187
2-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid?
The IUPAC name of [4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid (CID 101159032) is [4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid.
What is the SMILES notation for [4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid?
The canonical SMILES for [4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid is N[C@@H](CO)Cc1ccc(B(O)O)cc1.
What is the InChIKey of [4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid?
The InChIKey is PXLCSHVXTZAPBB-SECBINFHSA-N. The full InChI is InChI=1S/C9H14BNO3/c11-9(6-12)5-7-1-3-8(4-2-7)10(13)14/h1-4,9,12-14H,5-6,11H2/t9-/m1/s1.
What are the key properties of [4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid?
[4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid has a molecular weight of 195.03 g/mol, XLogP of -1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid is sourced from PubChem (CID 101159032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).