(2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide

C11H24N2O2 — CID 131863647

IUPAC(2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide
SMILESCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H24N2O2/c1-7(2)5-9(12)10(14)6-8(3)11(15)13-4/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)/t8-,9+,10+/m1/s1
InChIKeyCITAEOOYUIXZBB-UTLUCORTSA-N
MW216.32 g/mol
LogP0.49
Rot. Bonds6

About (2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide

(2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide (PubChem CID 131863647) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide
PubChem CID131863647
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide
SMILESCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H24N2O2/c1-7(2)5-9(12)10(14)6-8(3)11(15)13-4/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)/t8-,9+,10+/m1/s1
InChIKeyCITAEOOYUIXZBB-UTLUCORTSA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethylpentanamide;N,2,4-trimethylpentanamide
CID 143544198
5-amino-2,7-dimethyloctan-4-ol
CID 54358847
(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
CID 88667653
4-amino-6-methylheptan-3-ol;carbonic acid
CID 88724279
(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid
CID 157049939
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide
CID 147676110
3-amino-5-methylhexane-1,2-diol
CID 85255378
5-hydroxy-N,2,4-trimethylpentanamide
CID 157214325
(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 119818699
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
N,2,5-trimethylhexanamide
CID 78065622

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide?
The IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide (CID 131863647) is (2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide.
What is the SMILES notation for (2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide?
The canonical SMILES for (2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide is CNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)C.
What is the InChIKey of (2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide?
The InChIKey is CITAEOOYUIXZBB-UTLUCORTSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-7(2)5-9(12)10(14)6-8(3)11(15)13-4/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)/t8-,9+,10+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide?
(2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide has a molecular weight of 216.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide is sourced from PubChem (CID 131863647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).