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

C12H24N2O2 — CID 78963745

IUPAC2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N1CC[C@@H](O)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)4-6-13-12(16)10(3)14-7-5-11(15)8-14/h9-11,15H,4-8H2,1-3H3,(H,13,16)/t10?,11-/m1/s1
InChIKeyVJIVQCLAPPVHAX-RRKGBCIJSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds5

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

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide (PubChem CID 78963745) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide
PubChem CID78963745
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N1CC[C@@H](O)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)4-6-13-12(16)10(3)14-7-5-11(15)8-14/h9-11,15H,4-8H2,1-3H3,(H,13,16)/t10?,11-/m1/s1
InChIKeyVJIVQCLAPPVHAX-RRKGBCIJSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylamino)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 60820308
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 55258927
2-(3-aminoazetidin-1-yl)-N-(3-methylbutyl)propanamide
CID 63761130
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649
2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
CID 60718862
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79827498
N-ethyl-2-(3-methylpyrrolidin-1-yl)propanamide
CID 130606422
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 112630167

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide (CID 78963745) is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)N1CC[C@@H](O)C1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is VJIVQCLAPPVHAX-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)4-6-13-12(16)10(3)14-7-5-11(15)8-14/h9-11,15H,4-8H2,1-3H3,(H,13,16)/t10?,11-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide?
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.60, 5 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 78963745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).