N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide

C9H19NO2 — CID 39086818

IUPACN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](CO)C(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)8(5-11)10-9(12)7(3)4/h6-8,11H,5H2,1-4H3,(H,10,12)/t8-/m0/s1
InChIKeyDOUWTIQRKVVOAH-QMMMGPOBSA-N
MW173.26 g/mol
LogP0.78
Rot. Bonds4

About N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide (PubChem CID 39086818) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
PubChem CID39086818
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](CO)C(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)8(5-11)10-9(12)7(3)4/h6-8,11H,5H2,1-4H3,(H,10,12)/t8-/m0/s1
InChIKeyDOUWTIQRKVVOAH-QMMMGPOBSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79248858
2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 103513963
2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252281
2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 79252016
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
CID 13435877
2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pentanamide
CID 79249157
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823
2-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386314
2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386473

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide (CID 39086818) is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H](CO)C(C)C.
What is the InChIKey of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide?
The InChIKey is DOUWTIQRKVVOAH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)8(5-11)10-9(12)7(3)4/h6-8,11H,5H2,1-4H3,(H,10,12)/t8-/m0/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide?
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide has a molecular weight of 173.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 39086818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).