N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride

C13H24ClN3O2 — CID 119343394

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)N1CC(NC(=O)C2CCCN2)CC1=O.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-13(2,3)16-8-9(7-11(16)17)15-12(18)10-5-4-6-14-10;/h9-10,14H,4-8H2,1-3H3,(H,15,18);1H
InChIKeyHUFVSIXKBJKSEM-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.68
Rot. Bonds2

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119343394) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119343394
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)N1CC(NC(=O)C2CCCN2)CC1=O.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-13(2,3)16-8-9(7-11(16)17)15-12(18)10-5-4-6-14-10;/h9-10,14H,4-8H2,1-3H3,(H,15,18);1H
InChIKeyHUFVSIXKBJKSEM-UHFFFAOYSA-N
XLogP0.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
CID 120638106
(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152785
(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 10083650
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
CID 110749319
(2R)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]piperidine-2-carboxamide
CID 125152480
(2R)-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 103796815
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119321878
N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide
CID 10423162
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide
CID 119818298
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
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)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 119343394) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride is CC(C)(C)N1CC(NC(=O)C2CCCN2)CC1=O.Cl.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HUFVSIXKBJKSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-13(2,3)16-8-9(7-11(16)17)15-12(18)10-5-4-6-14-10;/h9-10,14H,4-8H2,1-3H3,(H,15,18);1H.
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.68, 2 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)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119343394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).