N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide

C13H22N2O2 — CID 51361562

IUPACN-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1(C)CCC(=O)N1C1CC1
InChIInChI=1S/C13H22N2O2/c1-12(2,3)14-11(17)13(4)8-7-10(16)15(13)9-5-6-9/h9H,5-8H2,1-4H3,(H,14,17)
InChIKeyAKOLGJXNYNAUHL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.44
Rot. Bonds2

About N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide

N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361562) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361562
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1(C)CCC(=O)N1C1CC1
InChIInChI=1S/C13H22N2O2/c1-12(2,3)14-11(17)13(4)8-7-10(16)15(13)9-5-6-9/h9H,5-8H2,1-4H3,(H,14,17)
InChIKeyAKOLGJXNYNAUHL-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Melanostatin
CID 92910
(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide
CID 11151918
L-leucyl-L-prolinamide
CID 11557656
L-valyl-L-prolinamide
CID 11615440
(S)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 9970317
n-(1-((2-Amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
CID 3896043
Pareptide
CID 10086055

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361562) is N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide is CC(C)(C)NC(=O)C1(C)CCC(=O)N1C1CC1.
What is the InChIKey of N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AKOLGJXNYNAUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(2,3)14-11(17)13(4)8-7-10(16)15(13)9-5-6-9/h9H,5-8H2,1-4H3,(H,14,17).
What are the key properties of N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).