2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide

C14H24N2O2 — CID 147232154

IUPAC2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide
SMILESC=C1C[C@@H](CC(=O)[C@H](C)NC(=O)C(C)(C)C)CN1
InChIInChI=1S/C14H24N2O2/c1-9-6-11(8-15-9)7-12(17)10(2)16-13(18)14(3,4)5/h10-11,15H,1,6-8H2,2-5H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyCJCXFNOCLANTEB-QWRGUYRKSA-N
MW252.36 g/mol
LogP1.62
Rot. Bonds4

About 2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide

2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide (PubChem CID 147232154) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide
PubChem CID147232154
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide
SMILESC=C1C[C@@H](CC(=O)[C@H](C)NC(=O)C(C)(C)C)CN1
InChIInChI=1S/C14H24N2O2/c1-9-6-11(8-15-9)7-12(17)10(2)16-13(18)14(3,4)5/h10-11,15H,1,6-8H2,2-5H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyCJCXFNOCLANTEB-QWRGUYRKSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide
CID 158191318
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54878882
methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
2,2-dimethyl-N-[1-oxo-1-(piperidin-3-ylamino)propan-2-yl]propanamide
CID 119428227
N-[1-[(2-hydroxy-2,3-dimethylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111484536
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
CID 61119877
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119575220
N-[1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136534159

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide (CID 147232154) is 2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide is C=C1C[C@@H](CC(=O)[C@H](C)NC(=O)C(C)(C)C)CN1.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide?
The InChIKey is CJCXFNOCLANTEB-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-6-11(8-15-9)7-12(17)10(2)16-13(18)14(3,4)5/h10-11,15H,1,6-8H2,2-5H3,(H,16,18)/t10-,11-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide?
2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide is sourced from PubChem (CID 147232154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).