2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide

C12H26N2O3 — CID 153323894

IUPAC2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide
SMILESCNCC(C)(C)C(O)C(=O)NCC(C)(C)CO
InChIInChI=1S/C12H26N2O3/c1-11(2,8-15)6-14-10(17)9(16)12(3,4)7-13-5/h9,13,15-16H,6-8H2,1-5H3,(H,14,17)
InChIKeyJGPKATWWHHSDRS-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.27
Rot. Bonds7

About 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide

2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide (PubChem CID 153323894) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide
PubChem CID153323894
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide
SMILESCNCC(C)(C)C(O)C(=O)NCC(C)(C)CO
InChIInChI=1S/C12H26N2O3/c1-11(2,8-15)6-14-10(17)9(16)12(3,4)7-13-5/h9,13,15-16H,6-8H2,1-5H3,(H,14,17)
InChIKeyJGPKATWWHHSDRS-UHFFFAOYSA-N
XLogP-0.27
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 103513975
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 115360318
N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125202
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-methoxypropanamide
CID 115360310
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 116678630
N-(3,3-dihydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 142091533
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 54227933
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide?
The IUPAC name of 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide (CID 153323894) is 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide.
What is the SMILES notation for 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide?
The canonical SMILES for 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide is CNCC(C)(C)C(O)C(=O)NCC(C)(C)CO.
What is the InChIKey of 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide?
The InChIKey is JGPKATWWHHSDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(2,8-15)6-14-10(17)9(16)12(3,4)7-13-5/h9,13,15-16H,6-8H2,1-5H3,(H,14,17).
What are the key properties of 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide?
2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide has a molecular weight of 246.35 g/mol, XLogP of -0.27, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide is sourced from PubChem (CID 153323894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).