N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide

C11H21N3O2 — CID 83632195

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)14-7-8(5-10(14)16)13-9(15)6-12-4/h8,12H,5-7H2,1-4H3,(H,13,15)
InChIKeyPCHFAFNRCRYLBN-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.28
Rot. Bonds3

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide (PubChem CID 83632195) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
PubChem CID83632195
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)14-7-8(5-10(14)16)13-9(15)6-12-4/h8,12H,5-7H2,1-4H3,(H,13,15)
InChIKeyPCHFAFNRCRYLBN-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(cyclopropylmethylamino)acetamide
CID 119818280
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide
CID 119343413
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 110736936
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide;hydrochloride
CID 119343412
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 110736896
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
CID 110749319
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(2-chloroethyl)urea
CID 108876104
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
CID 110736931
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
1-butyl-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)-1-methylurea
CID 108876218
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119818276

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide (CID 83632195) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide is CNCC(=O)NC1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide?
The InChIKey is PCHFAFNRCRYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)14-7-8(5-10(14)16)13-9(15)6-12-4/h8,12H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide has a molecular weight of 227.31 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide is sourced from PubChem (CID 83632195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).