(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride

C7H15ClN2O3 — CID 130657923

IUPAC(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
SMILESCONC(=O)[C@@H]1C[C@H](OC)CN1.Cl
InChIInChI=1S/C7H14N2O3.ClH/c1-11-5-3-6(8-4-5)7(10)9-12-2;/h5-6,8H,3-4H2,1-2H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKeyQYCBUIGPJWQTJV-GEMLJDPKSA-N
MW210.66 g/mol
LogP-0.54
Rot. Bonds3

About (2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride

(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130657923) has the molecular formula C7H15ClN2O3 and a molecular weight of 210.66 g/mol. Its IUPAC name is (2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID130657923
Molecular FormulaC7H15ClN2O3
Molecular Weight210.66 g/mol
Exact Mass210.08
IUPAC Name(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
SMILESCONC(=O)[C@@H]1C[C@H](OC)CN1.Cl
InChIInChI=1S/C7H14N2O3.ClH/c1-11-5-3-6(8-4-5)7(10)9-12-2;/h5-6,8H,3-4H2,1-2H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKeyQYCBUIGPJWQTJV-GEMLJDPKSA-N
XLogP-0.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride (CID 130657923) is (2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride is CONC(=O)[C@@H]1C[C@H](OC)CN1.Cl.
What is the InChIKey of (2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QYCBUIGPJWQTJV-GEMLJDPKSA-N. The full InChI is InChI=1S/C7H14N2O3.ClH/c1-11-5-3-6(8-4-5)7(10)9-12-2;/h5-6,8H,3-4H2,1-2H3,(H,9,10);1H/t5-,6-;/m0./s1.
What are the key properties of (2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride?
(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130657923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).