4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide

C11H22FN3O2 — CID 143974335

IUPAC4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide
SMILESCC1CC(N)CC(NC(=O)C(O)C(F)CN)C1
InChIInChI=1S/C11H22FN3O2/c1-6-2-7(14)4-8(3-6)15-11(17)10(16)9(12)5-13/h6-10,16H,2-5,13-14H2,1H3,(H,15,17)
InChIKeyCTCHYZSSNNABFY-UHFFFAOYSA-N
MW247.31 g/mol
LogP-0.72
Rot. Bonds4

About 4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide

4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide (PubChem CID 143974335) has the molecular formula C11H22FN3O2 and a molecular weight of 247.31 g/mol. Its IUPAC name is 4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide.

Molecular Properties

Compound Name4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide
PubChem CID143974335
Molecular FormulaC11H22FN3O2
Molecular Weight247.31 g/mol
Exact Mass247.17
IUPAC Name4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide
SMILESCC1CC(N)CC(NC(=O)C(O)C(F)CN)C1
InChIInChI=1S/C11H22FN3O2/c1-6-2-7(14)4-8(3-6)15-11(17)10(16)9(12)5-13/h6-10,16H,2-5,13-14H2,1H3,(H,15,17)
InChIKeyCTCHYZSSNNABFY-UHFFFAOYSA-N
XLogP-0.72
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide?
The IUPAC name of 4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide (CID 143974335) is 4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide.
What is the SMILES notation for 4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide?
The canonical SMILES for 4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide is CC1CC(N)CC(NC(=O)C(O)C(F)CN)C1.
What is the InChIKey of 4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide?
The InChIKey is CTCHYZSSNNABFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN3O2/c1-6-2-7(14)4-8(3-6)15-11(17)10(16)9(12)5-13/h6-10,16H,2-5,13-14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide?
4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide has a molecular weight of 247.31 g/mol, XLogP of -0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide is sourced from PubChem (CID 143974335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).