(2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide

C11H24N2O2 — CID 104862136

IUPAC(2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
SMILESCOCC(C)(C)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-10(2,3)8(12)9(14)13-11(4,5)7-15-6/h8H,7,12H2,1-6H3,(H,13,14)/t8-/m1/s1
InChIKeyCDISRXHNFGWBOY-MRVPVSSYSA-N
MW216.32 g/mol
LogP0.90
Rot. Bonds4

About (2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide (PubChem CID 104862136) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
PubChem CID104862136
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
SMILESCOCC(C)(C)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-10(2,3)8(12)9(14)13-11(4,5)7-15-6/h8H,7,12H2,1-6H3,(H,13,14)/t8-/m1/s1
InChIKeyCDISRXHNFGWBOY-MRVPVSSYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 61154008
2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 76887560
(2R)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104873423
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
(2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide
CID 64974712
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride
CID 119722377
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
CID 112555766
(2S)-2-amino-N-hydroxy-3,3-dimethylbutanamide
CID 63992597
1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 115690657

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide (CID 104862136) is (2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide is COCC(C)(C)NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide?
The InChIKey is CDISRXHNFGWBOY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10(2,3)8(12)9(14)13-11(4,5)7-15-6/h8H,7,12H2,1-6H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 104862136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).