4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide

C12H23N3O2 — CID 119343413

IUPAC4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide
SMILESCC(C)(C)N1CC(NC(=O)CCCN)CC1=O
InChIInChI=1S/C12H23N3O2/c1-12(2,3)15-8-9(7-11(15)17)14-10(16)5-4-6-13/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyTTXLUWGASJMJIC-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.24
Rot. Bonds4

About 4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide

4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide (PubChem CID 119343413) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide
PubChem CID119343413
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide
SMILESCC(C)(C)N1CC(NC(=O)CCCN)CC1=O
InChIInChI=1S/C12H23N3O2/c1-12(2,3)15-8-9(7-11(15)17)14-10(16)5-4-6-13/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyTTXLUWGASJMJIC-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide;hydrochloride
CID 119343412
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 110736896
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(cyclopropylmethylamino)acetamide
CID 119818280
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
CID 110736931
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 110736936
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
1-butyl-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)-1-methylurea
CID 108876218
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-propylurea
CID 108876154

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide?
The IUPAC name of 4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide (CID 119343413) is 4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide.
What is the SMILES notation for 4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide?
The canonical SMILES for 4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide is CC(C)(C)N1CC(NC(=O)CCCN)CC1=O.
What is the InChIKey of 4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide?
The InChIKey is TTXLUWGASJMJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)15-8-9(7-11(15)17)14-10(16)5-4-6-13/h9H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide?
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide has a molecular weight of 241.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide is sourced from PubChem (CID 119343413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).