(2R)-2-amino-3-bromo-3-chloropropanoic acid

C3H5BrClNO2 — CID 141078930

IUPAC(2R)-2-amino-3-bromo-3-chloropropanoic acid
SMILESN[C@H](C(=O)O)C(Cl)Br
InChIInChI=1S/C3H5BrClNO2/c4-2(5)1(6)3(7)8/h1-2H,6H2,(H,7,8)/t1-,2?/m0/s1
InChIKeyXIMPHJJZTPDLAC-PIKHSQJKSA-N
MW202.44 g/mol
LogP0.36
Rot. Bonds2

About (2R)-2-amino-3-bromo-3-chloropropanoic acid

(2R)-2-amino-3-bromo-3-chloropropanoic acid (PubChem CID 141078930) has the molecular formula C3H5BrClNO2 and a molecular weight of 202.44 g/mol. Its IUPAC name is (2R)-2-amino-3-bromo-3-chloropropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-bromo-3-chloropropanoic acid
PubChem CID141078930
Molecular FormulaC3H5BrClNO2
Molecular Weight202.44 g/mol
Exact Mass200.92
IUPAC Name(2R)-2-amino-3-bromo-3-chloropropanoic acid
SMILESN[C@H](C(=O)O)C(Cl)Br
InChIInChI=1S/C3H5BrClNO2/c4-2(5)1(6)3(7)8/h1-2H,6H2,(H,7,8)/t1-,2?/m0/s1
InChIKeyXIMPHJJZTPDLAC-PIKHSQJKSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.44
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid
CID 174951992
2-amino-3-chloro-3-fluoropropanoic acid
CID 18523013
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
2-amino-3,3-disulfopropanoic acid
CID 175428121
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
(2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid
CID 130737323
2-amino-3-chloro-3-phenylpropanoic acid
CID 5001395
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-bromo-3-chloropropanoic acid?
The IUPAC name of (2R)-2-amino-3-bromo-3-chloropropanoic acid (CID 141078930) is (2R)-2-amino-3-bromo-3-chloropropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-bromo-3-chloropropanoic acid?
The canonical SMILES for (2R)-2-amino-3-bromo-3-chloropropanoic acid is N[C@H](C(=O)O)C(Cl)Br.
What is the InChIKey of (2R)-2-amino-3-bromo-3-chloropropanoic acid?
The InChIKey is XIMPHJJZTPDLAC-PIKHSQJKSA-N. The full InChI is InChI=1S/C3H5BrClNO2/c4-2(5)1(6)3(7)8/h1-2H,6H2,(H,7,8)/t1-,2?/m0/s1.
What are the key properties of (2R)-2-amino-3-bromo-3-chloropropanoic acid?
(2R)-2-amino-3-bromo-3-chloropropanoic acid has a molecular weight of 202.44 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-bromo-3-chloropropanoic acid is sourced from PubChem (CID 141078930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).