N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide

C14H27FN2O — CID 167386460

IUPACN-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](CCN1CC[C@H](F)C1)C(C)C
InChIInChI=1S/C14H27FN2O/c1-10(2)13(16-14(18)11(3)4)6-8-17-7-5-12(15)9-17/h10-13H,5-9H2,1-4H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyGLHNZKKKPUQKOY-STQMWFEESA-N
MW258.38 g/mol
LogP2.22
Rot. Bonds6

About N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide

N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide (PubChem CID 167386460) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide
PubChem CID167386460
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC NameN-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](CCN1CC[C@H](F)C1)C(C)C
InChIInChI=1S/C14H27FN2O/c1-10(2)13(16-14(18)11(3)4)6-8-17-7-5-12(15)9-17/h10-13H,5-9H2,1-4H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyGLHNZKKKPUQKOY-STQMWFEESA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Aminomethyl)-1-(propan-2-yl)pyrrolidin-2-one
CID 44827665
N-[(3S4R)-4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL]-4-methylpentanamide
CID 91922784
N-(3-amino-4-methylpentyl)-N,2-dimethylpropanamide
CID 58326113
4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 56709504
N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide
CID 81485207
N-(3-amino-4-methylpentyl)-N-methylbutanamide
CID 81485295
2,2,2-trifluoro-N-(1-methyl-2-propan-2-ylpyrrolidin-3-yl)acetamide
CID 20645448
N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 56990953
1-[2-(Aminomethyl)pyrrolidin-1-yl]-2,2-difluoro-4-methylpentan-1-one
CID 57700632
2,2-difluoro-4-methyl-N-pyrrolidin-3-ylpentanamide
CID 57700788
1-(3-Aminopyrrolidin-1-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700899
2,2,2-trifluoro-N-[[(3R,5R)-5-methylpyrrolidin-3-yl]methyl]acetamide
CID 58880420

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide (CID 167386460) is N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H](CCN1CC[C@H](F)C1)C(C)C.
What is the InChIKey of N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide?
The InChIKey is GLHNZKKKPUQKOY-STQMWFEESA-N. The full InChI is InChI=1S/C14H27FN2O/c1-10(2)13(16-14(18)11(3)4)6-8-17-7-5-12(15)9-17/h10-13H,5-9H2,1-4H3,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide?
N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide has a molecular weight of 258.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide is sourced from PubChem (CID 167386460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).