1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C11H21N3O2 — CID 106151013

IUPAC1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCC(C(N)=O)N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C11H21N3O2/c1-4-8(9(12)15)14-6-5-11(2,7-14)10(16)13-3/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,16)
InChIKeyCBJSKIAEMSRYID-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds4

About 1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106151013) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106151013
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCC(C(N)=O)N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C11H21N3O2/c1-4-8(9(12)15)14-6-5-11(2,7-14)10(16)13-3/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,16)
InChIKeyCBJSKIAEMSRYID-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106151013) is 1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CCC(C(N)=O)N1CCC(C)(C(=O)NC)C1.
What is the InChIKey of 1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is CBJSKIAEMSRYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-8(9(12)15)14-6-5-11(2,7-14)10(16)13-3/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,16).
What are the key properties of 1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106151013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).