(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide

C11H24N2O2 — CID 107145862

IUPAC(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(C)CCO
InChIInChI=1S/C11H24N2O2/c1-3-4-5-10(12)11(15)13-8-9(2)6-7-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)/t9?,10-/m0/s1
InChIKeyXLDPUXBWIJVZKE-AXDSSHIGSA-N
MW216.32 g/mol
LogP0.64
Rot. Bonds8

About (2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide

(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide (PubChem CID 107145862) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
PubChem CID107145862
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(C)CCO
InChIInChI=1S/C11H24N2O2/c1-3-4-5-10(12)11(15)13-8-9(2)6-7-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)/t9?,10-/m0/s1
InChIKeyXLDPUXBWIJVZKE-AXDSSHIGSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 107569995
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide
CID 103950758
2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
CID 81102467
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide
CID 113304830

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide (CID 107145862) is (2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide is CCCC[C@H](N)C(=O)NCC(C)CCO.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide?
The InChIKey is XLDPUXBWIJVZKE-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-4-5-10(12)11(15)13-8-9(2)6-7-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide?
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide has a molecular weight of 216.32 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide is sourced from PubChem (CID 107145862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).