2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

C11H21N3O2 — CID 106256004

IUPAC2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCCC(C)NCC(=O)NC1CCN(C)C1=O
InChIInChI=1S/C11H21N3O2/c1-4-8(2)12-7-10(15)13-9-5-6-14(3)11(9)16/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyMNOUUQSHEFQWRW-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.28
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (PubChem CID 106256004) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
PubChem CID106256004
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCCC(C)NCC(=O)NC1CCN(C)C1=O
InChIInChI=1S/C11H21N3O2/c1-4-8(2)12-7-10(15)13-9-5-6-14(3)11(9)16/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyMNOUUQSHEFQWRW-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (CID 106256004) is 2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is CCC(C)NCC(=O)NC1CCN(C)C1=O.
What is the InChIKey of 2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The InChIKey is MNOUUQSHEFQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-8(2)12-7-10(15)13-9-5-6-14(3)11(9)16/h8-9,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide has a molecular weight of 227.31 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 106256004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).