(2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide

C10H21FN2O2 — CID 59879205

IUPAC(2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide
SMILESCCC(NC(=O)[C@@H](N)C(C)C)C(O)CF
InChIInChI=1S/C10H21FN2O2/c1-4-7(8(14)5-11)13-10(15)9(12)6(2)3/h6-9,14H,4-5,12H2,1-3H3,(H,13,15)/t7?,8?,9-/m0/s1
InChIKeyYARIJBYYDVRFIZ-HACHORDNSA-N
MW220.29 g/mol
LogP0.19
Rot. Bonds6

About (2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide

(2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide (PubChem CID 59879205) has the molecular formula C10H21FN2O2 and a molecular weight of 220.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide
PubChem CID59879205
Molecular FormulaC10H21FN2O2
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide
SMILESCCC(NC(=O)[C@@H](N)C(C)C)C(O)CF
InChIInChI=1S/C10H21FN2O2/c1-4-7(8(14)5-11)13-10(15)9(12)6(2)3/h6-9,14H,4-5,12H2,1-3H3,(H,13,15)/t7?,8?,9-/m0/s1
InChIKeyYARIJBYYDVRFIZ-HACHORDNSA-N
XLogP0.19
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide (CID 59879205) is (2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide is CCC(NC(=O)[C@@H](N)C(C)C)C(O)CF.
What is the InChIKey of (2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide?
The InChIKey is YARIJBYYDVRFIZ-HACHORDNSA-N. The full InChI is InChI=1S/C10H21FN2O2/c1-4-7(8(14)5-11)13-10(15)9(12)6(2)3/h6-9,14H,4-5,12H2,1-3H3,(H,13,15)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide?
(2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide has a molecular weight of 220.29 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide is sourced from PubChem (CID 59879205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).