3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide

C11H23N3O2 — CID 119879163

IUPAC3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide
SMILESCOCCN1CCC(NC(=O)CC(C)N)C1
InChIInChI=1S/C11H23N3O2/c1-9(12)7-11(15)13-10-3-4-14(8-10)5-6-16-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyIOAZBJJCLYXMNS-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.44
Rot. Bonds6

About 3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide

3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide (PubChem CID 119879163) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide
PubChem CID119879163
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide
SMILESCOCCN1CCC(NC(=O)CC(C)N)C1
InChIInChI=1S/C11H23N3O2/c1-9(12)7-11(15)13-10-3-4-14(8-10)5-6-16-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyIOAZBJJCLYXMNS-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide?
The IUPAC name of 3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide (CID 119879163) is 3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide is COCCN1CCC(NC(=O)CC(C)N)C1.
What is the InChIKey of 3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide?
The InChIKey is IOAZBJJCLYXMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(12)7-11(15)13-10-3-4-14(8-10)5-6-16-2/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide?
3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide has a molecular weight of 229.32 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 119879163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).