(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide

C7H14N2O — CID 166890060

IUPAC(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CNC[C@@H]1C
InChIInChI=1S/C7H14N2O/c1-5-3-9-4-6(5)7(10)8-2/h5-6,9H,3-4H2,1-2H3,(H,8,10)/t5-,6+/m0/s1
InChIKeyXRIRHKSGBCQGRS-NTSWFWBYSA-N
MW142.20 g/mol
LogP-0.41
Rot. Bonds1

About (3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide

(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide (PubChem CID 166890060) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
PubChem CID166890060
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CNC[C@@H]1C
InChIInChI=1S/C7H14N2O/c1-5-3-9-4-6(5)7(10)8-2/h5-6,9H,3-4H2,1-2H3,(H,8,10)/t5-,6+/m0/s1
InChIKeyXRIRHKSGBCQGRS-NTSWFWBYSA-N
XLogP-0.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide (CID 166890060) is (3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CNC[C@@H]1C.
What is the InChIKey of (3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide?
The InChIKey is XRIRHKSGBCQGRS-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-3-9-4-6(5)7(10)8-2/h5-6,9H,3-4H2,1-2H3,(H,8,10)/t5-,6+/m0/s1.
What are the key properties of (3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide?
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide has a molecular weight of 142.20 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 166890060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).