3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid

C10H12BrNO3 — CID 82347872

IUPAC3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid
SMILESNC(CC(=O)O)C(O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c11-7-3-1-6(2-4-7)10(15)8(12)5-9(13)14/h1-4,8,10,15H,5,12H2,(H,13,14)
InChIKeyMQZGZMYFNYNULY-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.28
Rot. Bonds4

About 3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid

3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid (PubChem CID 82347872) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid
PubChem CID82347872
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid
SMILESNC(CC(=O)O)C(O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c11-7-3-1-6(2-4-7)10(15)8(12)5-9(13)14/h1-4,8,10,15H,5,12H2,(H,13,14)
InChIKeyMQZGZMYFNYNULY-UHFFFAOYSA-N
XLogP1.28
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[4-(dimethylamino)phenyl]-4-hydroxybutanoic acid
CID 82349136
3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638
(3R,4S)-3-amino-4-hydroxy-4-(4-methylsulfonylphenyl)butanoic acid
CID 171777382
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
3-(4-bromophenyl)-5,5-dihydroxypentanoic acid;ethane
CID 90862250
3-(4-bromophenyl)-3-hydroxypropanamide
CID 11514276
methyl (2R,3S)-2-amino-3-(4-bromophenyl)-3-hydroxypropanoate
CID 14314190
3-amino-3-(4-bromophenyl)sulfonylpropanoic acid
CID 117037426
3-amino-4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoic acid
CID 82348543
2,3-diamino-3-(4-bromophenyl)propanoic acid
CID 116942182
3-(4-bromophenyl)-3-(diethylamino)propanoic acid
CID 64527008

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid?
The IUPAC name of 3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid (CID 82347872) is 3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid.
What is the SMILES notation for 3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid?
The canonical SMILES for 3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid is NC(CC(=O)O)C(O)c1ccc(Br)cc1.
What is the InChIKey of 3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid?
The InChIKey is MQZGZMYFNYNULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-7-3-1-6(2-4-7)10(15)8(12)5-9(13)14/h1-4,8,10,15H,5,12H2,(H,13,14).
What are the key properties of 3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid?
3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid has a molecular weight of 274.11 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid is sourced from PubChem (CID 82347872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).