(2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid

C4H8BrNO3 — CID 130737323

IUPAC(2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid
SMILESN[C@H](C(=O)O)[C@@H](O)CBr
InChIInChI=1S/C4H8BrNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3-/m0/s1
InChIKeyADSKOKVFXDFBJW-HRFVKAFMSA-N
MW198.02 g/mol
LogP-0.85
Rot. Bonds3

About (2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid

(2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid (PubChem CID 130737323) has the molecular formula C4H8BrNO3 and a molecular weight of 198.02 g/mol. Its IUPAC name is (2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid
PubChem CID130737323
Molecular FormulaC4H8BrNO3
Molecular Weight198.02 g/mol
Exact Mass196.97
IUPAC Name(2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid
SMILESN[C@H](C(=O)O)[C@@H](O)CBr
InChIInChI=1S/C4H8BrNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3-/m0/s1
InChIKeyADSKOKVFXDFBJW-HRFVKAFMSA-N
XLogP-0.85
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-amino-3-hydroxy-4-phosphanylbutanoic acid
CID 87416612
(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
CID 87786903
(2R,3S)-2,5-diamino-3-hydroxypentanoic acid
CID 14780344
(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
CID 154251758
(2S)-2-amino-3-hydroxyheptanoic acid
CID 139775906
(2S,3S,4S)-2-amino-3,4,5-trihydroxypentanoic acid
CID 11126623
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2-amino-3-hydroxy-4-phosphonooxybutanoic acid
CID 1007
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride
CID 91928385
CID 157089134
CID 157089134

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid (CID 130737323) is (2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid is N[C@H](C(=O)O)[C@@H](O)CBr.
What is the InChIKey of (2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid?
The InChIKey is ADSKOKVFXDFBJW-HRFVKAFMSA-N. The full InChI is InChI=1S/C4H8BrNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3-/m0/s1.
What are the key properties of (2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid?
(2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid has a molecular weight of 198.02 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid is sourced from PubChem (CID 130737323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).