(3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide

C10H22N2O2 — CID 118374691

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide
SMILESCC(C)NCC[C@@H](C)[C@@H](O)CC(N)=O
InChIInChI=1S/C10H22N2O2/c1-7(2)12-5-4-8(3)9(13)6-10(11)14/h7-9,12-13H,4-6H2,1-3H3,(H2,11,14)/t8-,9+/m1/s1
InChIKeyCSIQHZFYEMZTLS-BDAKNGLRSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds7

About (3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide

(3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide (PubChem CID 118374691) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide
PubChem CID118374691
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide
SMILESCC(C)NCC[C@@H](C)[C@@H](O)CC(N)=O
InChIInChI=1S/C10H22N2O2/c1-7(2)12-5-4-8(3)9(13)6-10(11)14/h7-9,12-13H,4-6H2,1-3H3,(H2,11,14)/t8-,9+/m1/s1
InChIKeyCSIQHZFYEMZTLS-BDAKNGLRSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide (CID 118374691) is (3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide is CC(C)NCC[C@@H](C)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide?
The InChIKey is CSIQHZFYEMZTLS-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(2)12-5-4-8(3)9(13)6-10(11)14/h7-9,12-13H,4-6H2,1-3H3,(H2,11,14)/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 118374691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).