N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide

C9H18FN3O — CID 154742284

IUPACN-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide
SMILESCC(C)C(N)CNC(=O)N1CC(F)C1
InChIInChI=1S/C9H18FN3O/c1-6(2)8(11)3-12-9(14)13-4-7(10)5-13/h6-8H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyHAFCDARSBXZFTJ-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.33
Rot. Bonds3

About N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide

N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide (PubChem CID 154742284) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide
PubChem CID154742284
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC NameN-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide
SMILESCC(C)C(N)CNC(=O)N1CC(F)C1
InChIInChI=1S/C9H18FN3O/c1-6(2)8(11)3-12-9(14)13-4-7(10)5-13/h6-8H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyHAFCDARSBXZFTJ-UHFFFAOYSA-N
XLogP0.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167135157
N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide
CID 167135164
N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide
CID 170220583
1-[1-(Dimethylamino)-4-methylpentan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 115583975
1-(1-Amino-3-methylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116012855
1-(2-Amino-3-methylbutyl)-3-(2,2,2-trifluoroethyl)urea
CID 116013334
1-(Azetidin-3-yl)-1-propyl-3-(2,2,2-trifluoroethyl)urea
CID 116013352
3-amino-3-ethyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013604
3-amino-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013605
3-amino-3-propan-2-yl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013606
1-[1-(Dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 116654742
3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide
CID 126782280

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide?
The IUPAC name of N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide (CID 154742284) is N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide is CC(C)C(N)CNC(=O)N1CC(F)C1.
What is the InChIKey of N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide?
The InChIKey is HAFCDARSBXZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O/c1-6(2)8(11)3-12-9(14)13-4-7(10)5-13/h6-8H,3-5,11H2,1-2H3,(H,12,14).
What are the key properties of N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide?
N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide has a molecular weight of 203.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide is sourced from PubChem (CID 154742284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).