(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide

C13H23N3O3 — CID 142038755

IUPAC(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide
SMILESCCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NNC
InChIInChI=1S/C13H23N3O3/c1-5-13(2,3)10(17)12(19)16-8-6-7-9(16)11(18)15-14-4/h9,14H,5-8H2,1-4H3,(H,15,18)/t9-/m0/s1
InChIKeyHHPRCIZQKIWWTB-VIFPVBQESA-N
MW269.34 g/mol
LogP0.23
Rot. Bonds5

About (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide

(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide (PubChem CID 142038755) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide
PubChem CID142038755
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide
SMILESCCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NNC
InChIInChI=1S/C13H23N3O3/c1-5-13(2,3)10(17)12(19)16-8-6-7-9(16)11(18)15-14-4/h9,14H,5-8H2,1-4H3,(H,15,18)/t9-/m0/s1
InChIKeyHHPRCIZQKIWWTB-VIFPVBQESA-N
XLogP0.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioic S-acid
CID 18738671
propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 86586326
1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide
CID 23532246
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(4-phenylbutyl)piperidine-2-carboxamide
CID 10937920
1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 79805766
1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 163963935
3,3-dimethyl-1-[(2S)-2-[4-phenyl-2-(2-phenylethyl)butanoyl]pyrrolidin-1-yl]pentane-1,2-dione
CID 58648553
3-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-4-methylpyrrole-2,5-dione
CID 58958720
3-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]propanenitrile
CID 58958668
1-[2-(5,6-dimethoxybenzimidazole-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione
CID 15981161
N'-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbonyl]pyridine-2-carbohydrazide;3,3-dimethyl-1-[(2S)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]pentane-1,2-dione
CID 157373955
1-(3,3-dimethyl-2-oxopentanoyl)-N-(4-pyridin-3-ylbutyl)piperidine-2-carboxamide
CID 59107691

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide?
The IUPAC name of (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide (CID 142038755) is (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide is CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NNC.
What is the InChIKey of (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide?
The InChIKey is HHPRCIZQKIWWTB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-13(2,3)10(17)12(19)16-8-6-7-9(16)11(18)15-14-4/h9,14H,5-8H2,1-4H3,(H,15,18)/t9-/m0/s1.
What are the key properties of (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide?
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide has a molecular weight of 269.34 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 142038755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).