3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide

C8H16N2O2 — CID 54147113

IUPAC3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide
SMILESCNC(=O)CC[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C8H16N2O2/c1-9-8(12)3-2-6-4-7(11)5-10-6/h6-7,10-11H,2-5H2,1H3,(H,9,12)/t6-,7-/m1/s1
InChIKeyOFDZQGPRJXFPAS-RNFRBKRXSA-N
MW172.23 g/mol
LogP-0.76
Rot. Bonds3

About 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide

3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide (PubChem CID 54147113) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide
PubChem CID54147113
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide
SMILESCNC(=O)CC[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C8H16N2O2/c1-9-8(12)3-2-6-4-7(11)5-10-6/h6-7,10-11H,2-5H2,1H3,(H,9,12)/t6-,7-/m1/s1
InChIKeyOFDZQGPRJXFPAS-RNFRBKRXSA-N
XLogP-0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide?
The IUPAC name of 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide (CID 54147113) is 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide?
The canonical SMILES for 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide is CNC(=O)CC[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide?
The InChIKey is OFDZQGPRJXFPAS-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-8(12)3-2-6-4-7(11)5-10-6/h6-7,10-11H,2-5H2,1H3,(H,9,12)/t6-,7-/m1/s1.
What are the key properties of 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide?
3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide has a molecular weight of 172.23 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 54147113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).