N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide

C16H30N2O3 — CID 139619474

IUPACN-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide
SMILESCC(C)(C)CC(=O)C1CCCN1C(O)C(=O)NC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-15(2,3)10-12(19)11-8-7-9-18(11)14(21)13(20)17-16(4,5)6/h11,14,21H,7-10H2,1-6H3,(H,17,20)
InChIKeyJJHPZNHQUGKQCO-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.69
Rot. Bonds4

About N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide

N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide (PubChem CID 139619474) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide
PubChem CID139619474
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide
SMILESCC(C)(C)CC(=O)C1CCCN1C(O)C(=O)NC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-15(2,3)10-12(19)11-8-7-9-18(11)14(21)13(20)17-16(4,5)6/h11,14,21H,7-10H2,1-6H3,(H,17,20)
InChIKeyJJHPZNHQUGKQCO-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide
CID 139619483
methyl (2S)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 129133775
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
methyl (2S)-1-[(2S,3S)-1-(tert-butylamino)-3,5-dimethyl-1-oxohexan-2-yl]pyrrolidine-2-carboxylate;sulfane
CID 158631553
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
methyl (2S)-1-[(2S,3S)-1-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxobutan-2-yl]pyrrolidine-2-carboxylate
CID 138461684
N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide
CID 114338889
N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
CID 79544175
(3S,8aR)-3-(3,3-dimethylbutanoyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 66972440
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79535858
tert-butyl (2S)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537272
(2S)-1-(2,2-dimethylpropyl)-N-methylpyrrolidine-2-carboxamide
CID 140912286

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide?
The IUPAC name of N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide (CID 139619474) is N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide?
The canonical SMILES for N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide is CC(C)(C)CC(=O)C1CCCN1C(O)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide?
The InChIKey is JJHPZNHQUGKQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)10-12(19)11-8-7-9-18(11)14(21)13(20)17-16(4,5)6/h11,14,21H,7-10H2,1-6H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide?
N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide has a molecular weight of 298.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide is sourced from PubChem (CID 139619474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).