2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid

C7H10Br2O2 — CID 138978026

IUPAC2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1CC[C@@H](Br)[C@@H]1Br
InChIInChI=1S/C7H10Br2O2/c8-5-2-1-4(7(5)9)3-6(10)11/h4-5,7H,1-3H2,(H,10,11)/t4-,5+,7+/m0/s1
InChIKeyVVUAWZQEWCNUNP-HBPOCXIASA-N
MW285.96 g/mol
LogP2.40
Rot. Bonds2

About 2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid

2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid (PubChem CID 138978026) has the molecular formula C7H10Br2O2 and a molecular weight of 285.96 g/mol. Its IUPAC name is 2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid
PubChem CID138978026
Molecular FormulaC7H10Br2O2
Molecular Weight285.96 g/mol
Exact Mass283.90
IUPAC Name2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1CC[C@@H](Br)[C@@H]1Br
InChIInChI=1S/C7H10Br2O2/c8-5-2-1-4(7(5)9)3-6(10)11/h4-5,7H,1-3H2,(H,10,11)/t4-,5+,7+/m0/s1
InChIKeyVVUAWZQEWCNUNP-HBPOCXIASA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.96
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid (CID 138978026) is 2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid is O=C(O)C[C@@H]1CC[C@@H](Br)[C@@H]1Br.
What is the InChIKey of 2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid?
The InChIKey is VVUAWZQEWCNUNP-HBPOCXIASA-N. The full InChI is InChI=1S/C7H10Br2O2/c8-5-2-1-4(7(5)9)3-6(10)11/h4-5,7H,1-3H2,(H,10,11)/t4-,5+,7+/m0/s1.
What are the key properties of 2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid?
2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid has a molecular weight of 285.96 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,3R)-2,3-dibromocyclopentyl]acetic acid is sourced from PubChem (CID 138978026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).