1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one

C15H27N3O2 — CID 91645588

IUPAC1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)(C)[C@H](N)C(=O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)13(16)14(20)17-9-6-11(7-10-17)18-8-4-5-12(18)19/h11,13H,4-10,16H2,1-3H3/t13-/m1/s1
InChIKeyAKQPOUXKVPZDQT-CYBMUJFWSA-N
MW281.40 g/mol
LogP0.97
Rot. Bonds2

About 1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 91645588) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID91645588
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)(C)[C@H](N)C(=O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)13(16)14(20)17-9-6-11(7-10-17)18-8-4-5-12(18)19/h11,13H,4-10,16H2,1-3H3/t13-/m1/s1
InChIKeyAKQPOUXKVPZDQT-CYBMUJFWSA-N
XLogP0.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3,3-dimethylbutan-1-one
CID 44433954
(2S)-2-amino-3,3-dimethyl-1-(pyrrolidin-1-yl)butan-1-one
CID 61148520
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-4,4-dimethylpentan-1-one
CID 44433950
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylbutan-1-one
CID 44433951
2-(2-methyl-5-oxo-1-pyrrolidinyl)-N-[2-(1-piperidinyl)propyl]acetamide
CID 21327783
N-[2-Methyl-2-(piperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374414
2-Isopropyl-2,8-diazaspiro[4.5]decan-1-one
CID 45074064
3-Amino-4,4-diethylpyrrolidin-2-one
CID 131285623
(2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide
CID 11735998
2-(2-Oxopyrrolidin-1-yl)-N-[2-(piperidin-1-yl)propyl]acetamide
CID 44374682
N-[3-(2-Methylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374716
(S)-1-((1R,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3,3-dimethylbutan-1-one
CID 44433955

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one (CID 91645588) is 1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one is CC(C)(C)[C@H](N)C(=O)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is AKQPOUXKVPZDQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)13(16)14(20)17-9-6-11(7-10-17)18-8-4-5-12(18)19/h11,13H,4-10,16H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 281.40 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 91645588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).