3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide

C12H23N3O2 — CID 57006510

IUPAC3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide
SMILESCC(C)(CNC(=O)CN1CCCC1)CC(N)=O
InChIInChI=1S/C12H23N3O2/c1-12(2,7-10(13)16)9-14-11(17)8-15-5-3-4-6-15/h3-9H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyLXGKNLYDHLWKOS-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds6

About 3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide

3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide (PubChem CID 57006510) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide
PubChem CID57006510
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide
SMILESCC(C)(CNC(=O)CN1CCCC1)CC(N)=O
InChIInChI=1S/C12H23N3O2/c1-12(2,7-10(13)16)9-14-11(17)8-15-5-3-4-6-15/h3-9H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyLXGKNLYDHLWKOS-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide?
The IUPAC name of 3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide (CID 57006510) is 3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide.
What is the SMILES notation for 3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide?
The canonical SMILES for 3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide is CC(C)(CNC(=O)CN1CCCC1)CC(N)=O.
What is the InChIKey of 3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide?
The InChIKey is LXGKNLYDHLWKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,7-10(13)16)9-14-11(17)8-15-5-3-4-6-15/h3-9H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide?
3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide is sourced from PubChem (CID 57006510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).