2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide

C12H23N3O2 — CID 103859907

IUPAC2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide
SMILESCC(C)(CNC(=O)CCC1CCNC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-12(2,11(13)17)8-15-10(16)4-3-9-5-6-14-7-9/h9,14H,3-8H2,1-2H3,(H2,13,17)(H,15,16)
InChIKeyUAJBRWOLOQGJAI-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.00
Rot. Bonds6

About 2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide

2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide (PubChem CID 103859907) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide
PubChem CID103859907
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide
SMILESCC(C)(CNC(=O)CCC1CCNC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-12(2,11(13)17)8-15-10(16)4-3-9-5-6-14-7-9/h9,14H,3-8H2,1-2H3,(H2,13,17)(H,15,16)
InChIKeyUAJBRWOLOQGJAI-UHFFFAOYSA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide
CID 106247834
2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 66177244
N-(2-methoxy-2-methylpropyl)-3-piperidin-4-ylpropanamide
CID 113343490
N-(4-hydroxy-2,2-dimethylbutyl)-3-piperidin-4-ylpropanamide
CID 114150053
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
N-[(1-propan-2-ylcyclopropyl)methyl]-3-pyrrolidin-3-ylpropanamide
CID 103859941
N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide
CID 115774837
3-(3-aminopropanoylamino)-2,2-dimethylpropanamide
CID 103795627
N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 103859922
N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 82941656
N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide?
The IUPAC name of 2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide (CID 103859907) is 2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide is CC(C)(CNC(=O)CCC1CCNC1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide?
The InChIKey is UAJBRWOLOQGJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,11(13)17)8-15-10(16)4-3-9-5-6-14-7-9/h9,14H,3-8H2,1-2H3,(H2,13,17)(H,15,16).
What are the key properties of 2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide?
2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide is sourced from PubChem (CID 103859907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).