2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride

C7H14ClNO2 — CID 87619351

IUPAC2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride
SMILESCl.[2H]C([2H])(C(=O)O)[C@H]1CCCN1C
InChIInChI=1S/C7H13NO2.ClH/c1-8-4-2-3-6(8)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H/t6-;/m1./s1/i5D2;
InChIKeyZMJRXPNTXVRMKK-PMKRCFNHSA-N
MW181.66 g/mol
LogP0.98
Rot. Bonds2

About 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride

2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride (PubChem CID 87619351) has the molecular formula C7H14ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride
PubChem CID87619351
Molecular FormulaC7H14ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.08
IUPAC Name2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride
SMILESCl.[2H]C([2H])(C(=O)O)[C@H]1CCCN1C
InChIInChI=1S/C7H13NO2.ClH/c1-8-4-2-3-6(8)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H/t6-;/m1./s1/i5D2;
InChIKeyZMJRXPNTXVRMKK-PMKRCFNHSA-N
XLogP0.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic 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

1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
2-(1-methylpyrrolidin-2-yl)acetamide;hydrochloride
CID 67492380
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
3-[(1-methylpyrrolidin-2-yl)methoxy]propanoic acid
CID 83817688
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
4-[(2S)-1-methylpyrrolidin-2-yl]but-2-ynoic acid
CID 174164483
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
CID 106020947

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride?
The IUPAC name of 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride (CID 87619351) is 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride?
The canonical SMILES for 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride is Cl.[2H]C([2H])(C(=O)O)[C@H]1CCCN1C.
What is the InChIKey of 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride?
The InChIKey is ZMJRXPNTXVRMKK-PMKRCFNHSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-8-4-2-3-6(8)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H/t6-;/m1./s1/i5D2;.
What are the key properties of 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride?
2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride is sourced from PubChem (CID 87619351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).