(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide

C11H24N2O2 — CID 104865654

IUPAC(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
SMILESCC(CO)C(C)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-7(6-14)8(2)13-10(15)9(12)11(3,4)5/h7-9,14H,6,12H2,1-5H3,(H,13,15)/t7?,8?,9-/m1/s1
InChIKeyLHEOCHJGIXKBAI-AMDVSUOASA-N
MW216.32 g/mol
LogP0.49
Rot. Bonds4

About (2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide (PubChem CID 104865654) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
PubChem CID104865654
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
SMILESCC(CO)C(C)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-7(6-14)8(2)13-10(15)9(12)11(3,4)5/h7-9,14H,6,12H2,1-5H3,(H,13,15)/t7?,8?,9-/m1/s1
InChIKeyLHEOCHJGIXKBAI-AMDVSUOASA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 103930250
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
CID 106349815
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 115734890
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119809042
2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
CID 76893601
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 114329161

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide (CID 104865654) is (2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide is CC(CO)C(C)NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide?
The InChIKey is LHEOCHJGIXKBAI-AMDVSUOASA-N. The full InChI is InChI=1S/C11H24N2O2/c1-7(6-14)8(2)13-10(15)9(12)11(3,4)5/h7-9,14H,6,12H2,1-5H3,(H,13,15)/t7?,8?,9-/m1/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.49, 4 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-3-methylbutan-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 104865654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).