(2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide

C9H19NO2 — CID 172508360

IUPAC(2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)N[C@@H](C)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6(11)8(12)10-7(2)9(3,4)5/h6-7,11H,1-5H3,(H,10,12)/t6-,7-/m0/s1
InChIKeyVNMZOECBHTWMEM-BQBZGAKWSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds2

About (2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide

(2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide (PubChem CID 172508360) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide
PubChem CID172508360
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)N[C@@H](C)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6(11)8(12)10-7(2)9(3,4)5/h6-7,11H,1-5H3,(H,10,12)/t6-,7-/m0/s1
InChIKeyVNMZOECBHTWMEM-BQBZGAKWSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide (CID 172508360) is (2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide is C[C@H](O)C(=O)N[C@@H](C)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide?
The InChIKey is VNMZOECBHTWMEM-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(11)8(12)10-7(2)9(3,4)5/h6-7,11H,1-5H3,(H,10,12)/t6-,7-/m0/s1.
What are the key properties of (2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide?
(2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide is sourced from PubChem (CID 172508360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).