(2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide

C9H19NO2 — CID 134237228

IUPAC(2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)[C@@H](O)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)10-8(12)7(11)9(3,4)5/h6-7,11H,1-5H3,(H,10,12)/t7-/m1/s1
InChIKeyXIZKNVJWMKCGLC-SSDOTTSWSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds2

About (2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide

(2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide (PubChem CID 134237228) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide
PubChem CID134237228
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)[C@@H](O)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)10-8(12)7(11)9(3,4)5/h6-7,11H,1-5H3,(H,10,12)/t7-/m1/s1
InChIKeyXIZKNVJWMKCGLC-SSDOTTSWSA-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)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide (CID 134237228) is (2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide is CC(C)NC(=O)[C@@H](O)C(C)(C)C.
What is the InChIKey of (2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide?
The InChIKey is XIZKNVJWMKCGLC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)10-8(12)7(11)9(3,4)5/h6-7,11H,1-5H3,(H,10,12)/t7-/m1/s1.
What are the key properties of (2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide?
(2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide 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)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 134237228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).