(3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide

C11H24N2O2S — CID 20660319

IUPAC(3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide
SMILESCCSCC[C@@H](N)C(O)C(=O)NC(C)CC
InChIInChI=1S/C11H24N2O2S/c1-4-8(3)13-11(15)10(14)9(12)6-7-16-5-2/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)/t8?,9-,10?/m1/s1
InChIKeyRMMROTXWLGDZJJ-HWOCKDDLSA-N
MW248.39 g/mol
LogP0.73
Rot. Bonds8

About (3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide

(3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide (PubChem CID 20660319) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide
PubChem CID20660319
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide
SMILESCCSCC[C@@H](N)C(O)C(=O)NC(C)CC
InChIInChI=1S/C11H24N2O2S/c1-4-8(3)13-11(15)10(14)9(12)6-7-16-5-2/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)/t8?,9-,10?/m1/s1
InChIKeyRMMROTXWLGDZJJ-HWOCKDDLSA-N
XLogP0.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide?
The IUPAC name of (3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide (CID 20660319) is (3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide.
What is the SMILES notation for (3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide?
The canonical SMILES for (3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide is CCSCC[C@@H](N)C(O)C(=O)NC(C)CC.
What is the InChIKey of (3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide?
The InChIKey is RMMROTXWLGDZJJ-HWOCKDDLSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-8(3)13-11(15)10(14)9(12)6-7-16-5-2/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)/t8?,9-,10?/m1/s1.
What are the key properties of (3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide?
(3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide has a molecular weight of 248.39 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-butan-2-yl-5-ethylsulfanyl-2-hydroxypentanamide is sourced from PubChem (CID 20660319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).