(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide

C10H22N2O3 — CID 103930127

IUPAC(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide
SMILESCC(O)(CO)CNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-9(2,3)7(11)8(14)12-5-10(4,15)6-13/h7,13,15H,5-6,11H2,1-4H3,(H,12,14)/t7-,10?/m0/s1
InChIKeyXBJMHCAQPGLVBS-BYDSUWOYSA-N
MW218.30 g/mol
LogP-0.78
Rot. Bonds4

About (2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide (PubChem CID 103930127) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide
PubChem CID103930127
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide
SMILESCC(O)(CO)CNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-9(2,3)7(11)8(14)12-5-10(4,15)6-13/h7,13,15H,5-6,11H2,1-4H3,(H,12,14)/t7-,10?/m0/s1
InChIKeyXBJMHCAQPGLVBS-BYDSUWOYSA-N
XLogP-0.78
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 115360318
N-(2,3-dihydroxy-2-methylpropyl)-2-methylpropanamide
CID 66168288
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119736012
(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
CID 114150116
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119830610
(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
CID 58124579
2-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-2-ethylbutanoic acid
CID 113308619
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 61154008
N-(2,3-dihydroxy-2-methylpropyl)-3-(ethylamino)-2-methylpropanamide
CID 66185352

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide (CID 103930127) is (2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide is CC(O)(CO)CNC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide?
The InChIKey is XBJMHCAQPGLVBS-BYDSUWOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-9(2,3)7(11)8(14)12-5-10(4,15)6-13/h7,13,15H,5-6,11H2,1-4H3,(H,12,14)/t7-,10?/m0/s1.
What are the key properties of (2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103930127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).