2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide

C8H16N2O2 — CID 66291565

IUPAC2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CC[C@@H](O)C1
InChIInChI=1S/C8H16N2O2/c1-6(8(12)9-2)10-4-3-7(11)5-10/h6-7,11H,3-5H2,1-2H3,(H,9,12)/t6?,7-/m1/s1
InChIKeyPUHLLJQMTBKCTR-COBSHVIPSA-N
MW172.23 g/mol
LogP-0.81
Rot. Bonds2

About 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide (PubChem CID 66291565) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
PubChem CID66291565
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CC[C@@H](O)C1
InChIInChI=1S/C8H16N2O2/c1-6(8(12)9-2)10-4-3-7(11)5-10/h6-7,11H,3-5H2,1-2H3,(H,9,12)/t6?,7-/m1/s1
InChIKeyPUHLLJQMTBKCTR-COBSHVIPSA-N
XLogP-0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide
CID 78963745
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
2-(3-ethylpyrrolidin-1-yl)-N-methylpropanamide
CID 126990123
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide
CID 115314435
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide
CID 114961414
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
N-[1-(4-fluorophenyl)ethyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332568

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide (CID 66291565) is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide is CNC(=O)C(C)N1CC[C@@H](O)C1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide?
The InChIKey is PUHLLJQMTBKCTR-COBSHVIPSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(8(12)9-2)10-4-3-7(11)5-10/h6-7,11H,3-5H2,1-2H3,(H,9,12)/t6?,7-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide?
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide has a molecular weight of 172.23 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 66291565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).