N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide

C7H15FN2O2 — CID 123480623

IUPACN-(3-amino-4-fluorobutyl)-2-hydroxypropanamide
SMILESCC(O)C(=O)NCCC(N)CF
InChIInChI=1S/C7H15FN2O2/c1-5(11)7(12)10-3-2-6(9)4-8/h5-6,11H,2-4,9H2,1H3,(H,10,12)
InChIKeyVTDJWMMOHZOOTM-UHFFFAOYSA-N
MW178.21 g/mol
LogP-0.83
Rot. Bonds5

About N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide

N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide (PubChem CID 123480623) has the molecular formula C7H15FN2O2 and a molecular weight of 178.21 g/mol. Its IUPAC name is N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorobutyl)-2-hydroxypropanamide
PubChem CID123480623
Molecular FormulaC7H15FN2O2
Molecular Weight178.21 g/mol
Exact Mass178.11
IUPAC NameN-(3-amino-4-fluorobutyl)-2-hydroxypropanamide
SMILESCC(O)C(=O)NCCC(N)CF
InChIInChI=1S/C7H15FN2O2/c1-5(11)7(12)10-3-2-6(9)4-8/h5-6,11H,2-4,9H2,1H3,(H,10,12)
InChIKeyVTDJWMMOHZOOTM-UHFFFAOYSA-N
XLogP-0.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide?
The IUPAC name of N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide (CID 123480623) is N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide.
What is the SMILES notation for N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide?
The canonical SMILES for N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide is CC(O)C(=O)NCCC(N)CF.
What is the InChIKey of N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide?
The InChIKey is VTDJWMMOHZOOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O2/c1-5(11)7(12)10-3-2-6(9)4-8/h5-6,11H,2-4,9H2,1H3,(H,10,12).
What are the key properties of N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide?
N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide has a molecular weight of 178.21 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide is sourced from PubChem (CID 123480623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).