(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide

C11H24N2O3 — CID 106254016

IUPAC(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
SMILESCOCCC(C)(O)CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H24N2O3/c1-8(2)9(12)10(14)13-7-11(3,15)5-6-16-4/h8-9,15H,5-7,12H2,1-4H3,(H,13,14)/t9-,11?/m1/s1
InChIKeyVOFATYUHHUKKIJ-BFHBGLAWSA-N
MW232.32 g/mol
LogP-0.13
Rot. Bonds7

About (2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide

(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide (PubChem CID 106254016) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
PubChem CID106254016
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
SMILESCOCCC(C)(O)CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H24N2O3/c1-8(2)9(12)10(14)13-7-11(3,15)5-6-16-4/h8-9,15H,5-7,12H2,1-4H3,(H,13,14)/t9-,11?/m1/s1
InChIKeyVOFATYUHHUKKIJ-BFHBGLAWSA-N
XLogP-0.13
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 106254850
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylacetamide
CID 106254706
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 113245983
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106254218
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712364
2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid
CID 106257307
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
CID 119296292
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide (CID 106254016) is (2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide is COCCC(C)(O)CNC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide?
The InChIKey is VOFATYUHHUKKIJ-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-8(2)9(12)10(14)13-7-11(3,15)5-6-16-4/h8-9,15H,5-7,12H2,1-4H3,(H,13,14)/t9-,11?/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide?
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide has a molecular weight of 232.32 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide is sourced from PubChem (CID 106254016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).