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

C12H23FN2O — CID 167035161

IUPACN-[1-[(3R)-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?/m1/s1
InChIKeyHTUHDYIDHGTFOW-JHJMLUEUSA-N
MW230.33 g/mol
LogP1.58
Rot. Bonds5

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

N-[1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide (PubChem CID 167035161) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide
PubChem CID167035161
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC NameN-[1-[(3R)-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?/m1/s1
InChIKeyHTUHDYIDHGTFOW-JHJMLUEUSA-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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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide?
The IUPAC name of N-[1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide (CID 167035161) is N-[1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide?
The canonical SMILES for N-[1-[(3R)-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-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide?
The InChIKey is HTUHDYIDHGTFOW-JHJMLUEUSA-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?/m1/s1.
What are the key properties of N-[1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide?
N-[1-[(3R)-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-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide is sourced from PubChem (CID 167035161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).