(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide

C11H24N2O2 — CID 119343168

IUPAC(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
SMILESCCC(CC)(CCO)CNC(=O)[C@H](C)N
InChIInChI=1S/C11H24N2O2/c1-4-11(5-2,6-7-14)8-13-10(15)9(3)12/h9,14H,4-8,12H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyHHBCUPBVGHJHOO-VIFPVBQESA-N
MW216.32 g/mol
LogP0.64
Rot. Bonds7

About (2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide

(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide (PubChem CID 119343168) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
PubChem CID119343168
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
SMILESCCC(CC)(CCO)CNC(=O)[C@H](C)N
InChIInChI=1S/C11H24N2O2/c1-4-11(5-2,6-7-14)8-13-10(15)9(3)12/h9,14H,4-8,12H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyHHBCUPBVGHJHOO-VIFPVBQESA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide
CID 106255599
4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride
CID 120563952
2-amino-N-(2,2-diethyl-4-hydroxybutyl)acetamide
CID 119343174
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
CID 130551934
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide
CID 107168157
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide (CID 119343168) is (2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide is CCC(CC)(CCO)CNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide?
The InChIKey is HHBCUPBVGHJHOO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-11(5-2,6-7-14)8-13-10(15)9(3)12/h9,14H,4-8,12H2,1-3H3,(H,13,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide?
(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide has a molecular weight of 216.32 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide is sourced from PubChem (CID 119343168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).