(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide

C7H11BrN2O2 — CID 11042691

IUPAC(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CBr
InChIInChI=1S/C7H11BrN2O2/c8-4-6(11)10-3-1-2-5(10)7(9)12/h5H,1-4H2,(H2,9,12)/t5-/m0/s1
InChIKeyGHUSFCFGIRJXFC-YFKPBYRVSA-N
MW235.08 g/mol
LogP-0.14
Rot. Bonds2

About (2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide

(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide (PubChem CID 11042691) has the molecular formula C7H11BrN2O2 and a molecular weight of 235.08 g/mol. Its IUPAC name is (2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
PubChem CID11042691
Molecular FormulaC7H11BrN2O2
Molecular Weight235.08 g/mol
Exact Mass234.00
IUPAC Name(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CBr
InChIInChI=1S/C7H11BrN2O2/c8-4-6(11)10-3-1-2-5(10)7(9)12/h5H,1-4H2,(H2,9,12)/t5-/m0/s1
InChIKeyGHUSFCFGIRJXFC-YFKPBYRVSA-N
XLogP-0.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 5-0.14
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

(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 102537702
1-propanoylpiperidine-2-carboxamide
CID 60717244
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493
(2S)-1-[2-(carbamothioylamino)acetyl]pyrrolidine-2-carboxamide;ethane
CID 143879715
1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 43212210

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide (CID 11042691) is (2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)CBr.
What is the InChIKey of (2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide?
The InChIKey is GHUSFCFGIRJXFC-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11BrN2O2/c8-4-6(11)10-3-1-2-5(10)7(9)12/h5H,1-4H2,(H2,9,12)/t5-/m0/s1.
What are the key properties of (2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide?
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide has a molecular weight of 235.08 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11042691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).