(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid

C7H10BrNO3 — CID 126526083

IUPAC(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid
SMILESO=C(CBr)[C@H]1CCCN1C(=O)O
InChIInChI=1S/C7H10BrNO3/c8-4-6(10)5-2-1-3-9(5)7(11)12/h5H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyKBZKJGNSNGEYSQ-RXMQYKEDSA-N
MW236.06 g/mol
LogP1.09
Rot. Bonds2

About (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid

(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid (PubChem CID 126526083) has the molecular formula C7H10BrNO3 and a molecular weight of 236.06 g/mol. Its IUPAC name is (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid
PubChem CID126526083
Molecular FormulaC7H10BrNO3
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid
SMILESO=C(CBr)[C@H]1CCCN1C(=O)O
InChIInChI=1S/C7H10BrNO3/c8-4-6(10)5-2-1-3-9(5)7(11)12/h5H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyKBZKJGNSNGEYSQ-RXMQYKEDSA-N
XLogP1.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
CID 69059915
2-(3-oxobutanoyl)pyrrolidine-1-carboxylic acid
CID 68812261
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
2-prop-2-enoylpyrrolidine-1-carboxylic acid
CID 69463823
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 45259039
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid
CID 136932287
(2S)-2-(3-bromo-2-oxopropyl)piperidine-1-carboxylic acid
CID 87470345

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid (CID 126526083) is (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid is O=C(CBr)[C@H]1CCCN1C(=O)O.
What is the InChIKey of (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KBZKJGNSNGEYSQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10BrNO3/c8-4-6(10)5-2-1-3-9(5)7(11)12/h5H,1-4H2,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid?
(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid has a molecular weight of 236.06 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 126526083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).