(2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide

C11H21N3O2 — CID 67670583

IUPAC(2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide
SMILESCC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)7-9(15)13-14-10(16)8-5-4-6-12-8/h8,12H,4-7H2,1-3H3,(H,13,15)(H,14,16)/t8-/m0/s1
InChIKeyDPDAXOKURPTUGH-QMMMGPOBSA-N
MW227.31 g/mol
LogP0.32
Rot. Bonds2

About (2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide

(2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide (PubChem CID 67670583) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide
PubChem CID67670583
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide
SMILESCC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)7-9(15)13-14-10(16)8-5-4-6-12-8/h8,12H,4-7H2,1-3H3,(H,13,15)(H,14,16)/t8-/m0/s1
InChIKeyDPDAXOKURPTUGH-QMMMGPOBSA-N
XLogP0.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272921
(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 82724337
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10419946
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
(2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 106176083
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115666735
(2S)-N'-pentylpyrrolidine-2-carbohydrazide
CID 174372562
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
CID 66188372

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of (2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide (CID 67670583) is (2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide is CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide?
The InChIKey is DPDAXOKURPTUGH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)7-9(15)13-14-10(16)8-5-4-6-12-8/h8,12H,4-7H2,1-3H3,(H,13,15)(H,14,16)/t8-/m0/s1.
What are the key properties of (2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide?
(2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide has a molecular weight of 227.31 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 67670583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).