(2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide

C11H23NO2 — CID 165360514

IUPAC(2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESC[C@H](O)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(13)9(14)12-11(5,6)7-10(2,3)4/h8,13H,7H2,1-6H3,(H,12,14)/t8-/m0/s1
InChIKeyPAJBLXYTXWUCCX-QMMMGPOBSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds3

About (2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide

(2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 165360514) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID165360514
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESC[C@H](O)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(13)9(14)12-11(5,6)7-10(2,3)4/h8,13H,7H2,1-6H3,(H,12,14)/t8-/m0/s1
InChIKeyPAJBLXYTXWUCCX-QMMMGPOBSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of (2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 165360514) is (2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide is C[C@H](O)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of (2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is PAJBLXYTXWUCCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(13)9(14)12-11(5,6)7-10(2,3)4/h8,13H,7H2,1-6H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide?
(2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 201.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 165360514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).