(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide

C7H14BrNO2 — CID 139998983

IUPAC(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide
SMILESBr.CC1(C)CCN[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2.BrH/c1-7(2)3-4-8-5(7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H/t5-;/m1./s1
InChIKeyUKARGFUGBFBYOB-NUBCRITNSA-N
MW224.10 g/mol
LogP1.04
Rot. Bonds1

About (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide

(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide (PubChem CID 139998983) has the molecular formula C7H14BrNO2 and a molecular weight of 224.10 g/mol. Its IUPAC name is (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide
PubChem CID139998983
Molecular FormulaC7H14BrNO2
Molecular Weight224.10 g/mol
Exact Mass223.02
IUPAC Name(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide
SMILESBr.CC1(C)CCN[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2.BrH/c1-7(2)3-4-8-5(7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H/t5-;/m1./s1
InChIKeyUKARGFUGBFBYOB-NUBCRITNSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
methyl 3,3-dimethylpyrrolidine-2-carboxylate
CID 75088961
2,2-dimethylthiomorpholine-3-carboxylic acid
CID 13127852
5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane
CID 144812819
4,4-dimethylpiperidine-3-carboxylic acid
CID 83669924
(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114084097
(3,5-dichlorophenyl)sulfonyl (2S)-3,3-dimethylpyrrolidine-2-carboxylate
CID 20828582
(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 21149485
3,3-dimethylpyrrolidine-2-carbaldehyde
CID 18008835
6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride
CID 146155863
(1S,3S,4R)-1,4-dimethyl-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 126969668
(1R,3R,4R)-1,4-dimethyl-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 126969666

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide?
The IUPAC name of (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide (CID 139998983) is (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide.
What is the SMILES notation for (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide?
The canonical SMILES for (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide is Br.CC1(C)CCN[C@@H]1C(=O)O.
What is the InChIKey of (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide?
The InChIKey is UKARGFUGBFBYOB-NUBCRITNSA-N. The full InChI is InChI=1S/C7H13NO2.BrH/c1-7(2)3-4-8-5(7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H/t5-;/m1./s1.
What are the key properties of (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide?
(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide has a molecular weight of 224.10 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide is sourced from PubChem (CID 139998983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).