(2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 162341760

IUPAC(2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC1(C)CC[C@@H](C(=O)O)N1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(2)4-3-5(8-7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H/t5-;/m0./s1
InChIKeyOHZZJQWZBJKQLS-JEDNCBNOSA-N
MW179.65 g/mol
LogP1.02
Rot. Bonds1

About (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride

(2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 162341760) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID162341760
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name(2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC1(C)CC[C@@H](C(=O)O)N1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(2)4-3-5(8-7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H/t5-;/m0./s1
InChIKeyOHZZJQWZBJKQLS-JEDNCBNOSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5,5-dimethylpyrrolidine-2-carboxylate
CID 75088958
(2S)-5-methyl-5-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylic acid
CID 69333341
5-(3-hydroxypropyl)-5-methylpyrrolidine-2-carboxylic acid
CID 115103895
2-ethyl-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500428
(2S)-5,5-difluoropiperidine-2-carboxylic acid
CID 45082546
4-azaspiro[2.6]nonane-5-carboxylic acid
CID 84653478
(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 170166786
2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid
CID 80500865
(4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 24804857
(5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride
CID 173291135
(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 54006314
azetidine-2-carboxylic acid;hydrochloride
CID 45358168

Frequently Asked Questions

What is the IUPAC name of (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride (CID 162341760) is (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride is CC1(C)CC[C@@H](C(=O)O)N1.Cl.
What is the InChIKey of (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is OHZZJQWZBJKQLS-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-7(2)4-3-5(8-7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H/t5-;/m0./s1.
What are the key properties of (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 162341760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).