(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride

C10H20ClNO2 — CID 136589468

IUPAC(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC(C)(C)C[C@@H]1CNC[C@H]1C(=O)O.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,3)4-7-5-11-6-8(7)9(12)13;/h7-8,11H,4-6H2,1-3H3,(H,12,13);1H/t7-,8-;/m1./s1
InChIKeyCDGBXGJITOANJL-SCLLHFNJSA-N
MW221.73 g/mol
LogP1.76
Rot. Bonds2

About (3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride

(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 136589468) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is (3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID136589468
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC(C)(C)C[C@@H]1CNC[C@H]1C(=O)O.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,3)4-7-5-11-6-8(7)9(12)13;/h7-8,11H,4-6H2,1-3H3,(H,12,13);1H/t7-,8-;/m1./s1
InChIKeyCDGBXGJITOANJL-SCLLHFNJSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 136589468) is (3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride is CC(C)(C)C[C@@H]1CNC[C@H]1C(=O)O.Cl.
What is the InChIKey of (3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is CDGBXGJITOANJL-SCLLHFNJSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-10(2,3)4-7-5-11-6-8(7)9(12)13;/h7-8,11H,4-6H2,1-3H3,(H,12,13);1H/t7-,8-;/m1./s1.
What are the key properties of (3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride?
(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 136589468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).