(2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide

C13H26N2O2 — CID 126454803

IUPAC(2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide
SMILESCC(C)[C@@H](O)C(=O)NC(C)(C)CN1CCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)11(16)12(17)14-13(3,4)9-15-7-5-6-8-15/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t11-/m1/s1
InChIKeyBZYHSLJILFWBGG-LLVKDONJSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds5

About (2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide

(2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide (PubChem CID 126454803) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide
PubChem CID126454803
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide
SMILESCC(C)[C@@H](O)C(=O)NC(C)(C)CN1CCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)11(16)12(17)14-13(3,4)9-15-7-5-6-8-15/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t11-/m1/s1
InChIKeyBZYHSLJILFWBGG-LLVKDONJSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 72934848
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 92586799
3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
CID 79627677
N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide
CID 167229303
N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 166236360
(2R)-N-(2-methylbutan-2-yl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 97087184
N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60677024
(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 155960645
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride
CID 154911287
2-[[3-(azepan-1-yl)-2,2-dimethylpropanoyl]amino]propanoic acid
CID 82043040
4-(azepan-1-yl)-3,3-dimethylbutan-2-one
CID 59854594

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide?
The IUPAC name of (2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide (CID 126454803) is (2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide.
What is the SMILES notation for (2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide?
The canonical SMILES for (2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide is CC(C)[C@@H](O)C(=O)NC(C)(C)CN1CCCC1.
What is the InChIKey of (2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide?
The InChIKey is BZYHSLJILFWBGG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)11(16)12(17)14-13(3,4)9-15-7-5-6-8-15/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide?
(2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide has a molecular weight of 242.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide is sourced from PubChem (CID 126454803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).