3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide

C11H21N3O2 — CID 106096629

IUPAC3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide
SMILESCC(C)(CC(N)=O)NC(=O)CC1CCNC1
InChIInChI=1S/C11H21N3O2/c1-11(2,6-9(12)15)14-10(16)5-8-3-4-13-7-8/h8,13H,3-7H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyGVSBQCNSWDHJHW-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.24
Rot. Bonds5

About 3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide

3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide (PubChem CID 106096629) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide
PubChem CID106096629
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide
SMILESCC(C)(CC(N)=O)NC(=O)CC1CCNC1
InChIInChI=1S/C11H21N3O2/c1-11(2,6-9(12)15)14-10(16)5-8-3-4-13-7-8/h8,13H,3-7H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyGVSBQCNSWDHJHW-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide
CID 106096831
2-piperidin-3-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 62688845
N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
CID 106096459
N-(1-methoxy-2-methylpropan-2-yl)-2-piperidin-4-ylacetamide
CID 115738831
2-(azetidin-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 64616558
2-(azetidin-3-yl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 115738814
N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide
CID 106148292
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106096512
N-[(2R)-1-hydroxypropan-2-yl]-2-pyrrolidin-3-ylacetamide
CID 107218668
N-(2-methylbutan-2-yl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62372287
2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide
CID 103859907
3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide
CID 106096636

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide (CID 106096629) is 3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide is CC(C)(CC(N)=O)NC(=O)CC1CCNC1.
What is the InChIKey of 3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide?
The InChIKey is GVSBQCNSWDHJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,6-9(12)15)14-10(16)5-8-3-4-13-7-8/h8,13H,3-7H2,1-2H3,(H2,12,15)(H,14,16).
What are the key properties of 3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide?
3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide has a molecular weight of 227.31 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide is sourced from PubChem (CID 106096629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).