2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one

C10H20FN3O — CID 144942268

IUPAC2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one
SMILESCC(N)(CF)C(=O)N1CC[C@](C)(CN)C1
InChIInChI=1S/C10H20FN3O/c1-9(6-12)3-4-14(7-9)8(15)10(2,13)5-11/h3-7,12-13H2,1-2H3/t9-,10?/m1/s1
InChIKeyXYDWEDQEJVVIGX-YHMJZVADSA-N
MW217.29 g/mol
LogP-0.13
Rot. Bonds3

About 2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one

2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one (PubChem CID 144942268) has the molecular formula C10H20FN3O and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one
PubChem CID144942268
Molecular FormulaC10H20FN3O
Molecular Weight217.29 g/mol
Exact Mass217.16
IUPAC Name2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one
SMILESCC(N)(CF)C(=O)N1CC[C@](C)(CN)C1
InChIInChI=1S/C10H20FN3O/c1-9(6-12)3-4-14(7-9)8(15)10(2,13)5-11/h3-7,12-13H2,1-2H3/t9-,10?/m1/s1
InChIKeyXYDWEDQEJVVIGX-YHMJZVADSA-N
XLogP-0.13
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one (CID 144942268) is 2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one is CC(N)(CF)C(=O)N1CC[C@](C)(CN)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one?
The InChIKey is XYDWEDQEJVVIGX-YHMJZVADSA-N. The full InChI is InChI=1S/C10H20FN3O/c1-9(6-12)3-4-14(7-9)8(15)10(2,13)5-11/h3-7,12-13H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one?
2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one has a molecular weight of 217.29 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 144942268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).