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

C12H23FN2O — CID 167035154

IUPACN-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide
SMILESCC(=O)NC(CCN1CC[C@H](F)C1)C(C)C
InChIInChI=1S/C12H23FN2O/c1-9(2)12(14-10(3)16)5-7-15-6-4-11(13)8-15/h9,11-12H,4-8H2,1-3H3,(H,14,16)/t11-,12?/m0/s1
InChIKeyHTUHDYIDHGTFOW-PXYINDEMSA-N
MW230.33 g/mol
LogP1.58
Rot. Bonds5

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

N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide (PubChem CID 167035154) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide
PubChem CID167035154
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC NameN-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide
SMILESCC(=O)NC(CCN1CC[C@H](F)C1)C(C)C
InChIInChI=1S/C12H23FN2O/c1-9(2)12(14-10(3)16)5-7-15-6-4-11(13)8-15/h9,11-12H,4-8H2,1-3H3,(H,14,16)/t11-,12?/m0/s1
InChIKeyHTUHDYIDHGTFOW-PXYINDEMSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S4R)-4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL]-4-methylpentanamide
CID 91922784
N-(3-amino-4-methylpentyl)-N,2-dimethylpropanamide
CID 58326113
N-(3-amino-4-methylpentyl)-3,3,3-trifluoro-N-methylpropanamide
CID 81485207
N-(2-(1-Methylpyrrolidin-2-yl)ethyl)acetamide
CID 3019249
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
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
2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide
CID 59084922
2,2,2-trifluoro-1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 59717702
2,2,2-trifluoro-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 59983220

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide?
The IUPAC name of N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide (CID 167035154) is N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide?
The canonical SMILES for N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide is CC(=O)NC(CCN1CC[C@H](F)C1)C(C)C.
What is the InChIKey of N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide?
The InChIKey is HTUHDYIDHGTFOW-PXYINDEMSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-9(2)12(14-10(3)16)5-7-15-6-4-11(13)8-15/h9,11-12H,4-8H2,1-3H3,(H,14,16)/t11-,12?/m0/s1.
What are the key properties of N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide?
N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide has a molecular weight of 230.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide is sourced from PubChem (CID 167035154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).