3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide

C9H18N2O2 — CID 78963432

IUPAC3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CC[C@@H](O)C1
InChIInChI=1S/C9H18N2O2/c1-10(2)9(13)4-6-11-5-3-8(12)7-11/h8,12H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyMIAPHBCZSFGFEA-MRVPVSSYSA-N
MW186.25 g/mol
LogP-0.47
Rot. Bonds3

About 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide

3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 78963432) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide
PubChem CID78963432
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CC[C@@H](O)C1
InChIInChI=1S/C9H18N2O2/c1-10(2)9(13)4-6-11-5-3-8(12)7-11/h8,12H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyMIAPHBCZSFGFEA-MRVPVSSYSA-N
XLogP-0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62371563
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809
N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976767
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 62654927
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide
CID 170290766
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide
CID 63873110
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide (CID 78963432) is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1CC[C@@H](O)C1.
What is the InChIKey of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is MIAPHBCZSFGFEA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10(2)9(13)4-6-11-5-3-8(12)7-11/h8,12H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide?
3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 186.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 78963432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).