(2S)-2-bromopropanoic acid

C3H5BrO2 — CID 642232

IUPAC(2S)-2-bromopropanoic acid
SMILESC[C@H](Br)C(=O)O
InChIInChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
InChIKeyMONMFXREYOKQTI-REOHCLBHSA-N
MW152.97 g/mol
LogP0.85
Rot. Bonds1

About (2S)-2-bromopropanoic acid

(2S)-2-bromopropanoic acid (PubChem CID 642232) has the molecular formula C3H5BrO2 and a molecular weight of 152.97 g/mol. Its IUPAC name is (2S)-2-bromopropanoic acid.

Molecular Properties

Compound Name(2S)-2-bromopropanoic acid
PubChem CID642232
Molecular FormulaC3H5BrO2
Molecular Weight152.97 g/mol
Exact Mass151.95
IUPAC Name(2S)-2-bromopropanoic acid
SMILESC[C@H](Br)C(=O)O
InChIInChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
InChIKeyMONMFXREYOKQTI-REOHCLBHSA-N
XLogP0.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.97
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

barium(2+);2-bromopropanoic acid;hydride
CID 173389157
2-bromopropanoic acid;methoxymethane
CID 159963674
2-bromopropanoic acid;piperazine
CID 54600090
(2R,4S)-2,4-dibromopentan-3-one
CID 7567036
2-bromopropanoic acid;pyrrole-2,5-dione
CID 131740615
2-methylpropanoic acid
CID 173073412
(2S)-2-[[(2S)-2-bromopropanoyl]amino]propanoic acid
CID 6933164
2-(1,2-dibromopropyl)propanedioic acid
CID 129017895
2-methylpropanoic acid;ruthenium
CID 88674751
alumane;2-methylpropanoic acid
CID 173068323
2,2-dibromoacetic acid;silver
CID 138115790
cerium;tris(2-methylpropanoic acid)
CID 153360547

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromopropanoic acid?
The IUPAC name of (2S)-2-bromopropanoic acid (CID 642232) is (2S)-2-bromopropanoic acid.
What is the SMILES notation for (2S)-2-bromopropanoic acid?
The canonical SMILES for (2S)-2-bromopropanoic acid is C[C@H](Br)C(=O)O.
What is the InChIKey of (2S)-2-bromopropanoic acid?
The InChIKey is MONMFXREYOKQTI-REOHCLBHSA-N. The full InChI is InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1.
What are the key properties of (2S)-2-bromopropanoic acid?
(2S)-2-bromopropanoic acid has a molecular weight of 152.97 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromopropanoic acid is sourced from PubChem (CID 642232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).