1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

C16H30N4O3 — CID 70287135

IUPAC1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)NC(C(=O)N1CCCC1C(N)=O)C(C)(C)C
InChIInChI=1S/C16H30N4O3/c1-15(2,3)11(18-14(23)19-16(4,5)6)13(22)20-9-7-8-10(20)12(17)21/h10-11H,7-9H2,1-6H3,(H2,17,21)(H2,18,19,23)
InChIKeyBKOUDXOHARPICV-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.98
Rot. Bonds3

About 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 70287135) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID70287135
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)NC(C(=O)N1CCCC1C(N)=O)C(C)(C)C
InChIInChI=1S/C16H30N4O3/c1-15(2,3)11(18-14(23)19-16(4,5)6)13(22)20-9-7-8-10(20)12(17)21/h10-11H,7-9H2,1-6H3,(H2,17,21)(H2,18,19,23)
InChIKeyBKOUDXOHARPICV-UHFFFAOYSA-N
XLogP0.98
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 71168276
1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66608629
N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143353167
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
[1-(trifluoromethyl)cyclobutyl] N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 70290394
1-(2-acetamido-3,3-dimethylbutanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 59540150
hexan-2-yl N-[1-(2-carbamoylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 143786485
[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl] N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 146985093
N-[3-amino-1-(cyclobutylamino)-2,3-dioxopropyl]-1-[2-(2,2-dimethylpropylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143358614
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
N-(3-amino-2,3-dioxopropyl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 143315628
(2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-3,3-dimethyl-2-(propan-2-ylcarbamoylamino)butanoyl]pyrrolidine-2-carboxamide
CID 58262796

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (CID 70287135) is 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is CC(C)(C)NC(=O)NC(C(=O)N1CCCC1C(N)=O)C(C)(C)C.
What is the InChIKey of 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is BKOUDXOHARPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-15(2,3)11(18-14(23)19-16(4,5)6)13(22)20-9-7-8-10(20)12(17)21/h10-11H,7-9H2,1-6H3,(H2,17,21)(H2,18,19,23).
What are the key properties of 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70287135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).