(2S)-N-tert-butyl-2-hydroxybutanamide

C8H17NO2 — CID 177078677

IUPAC(2S)-N-tert-butyl-2-hydroxybutanamide
SMILESCC[C@H](O)C(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-6(10)7(11)9-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1
InChIKeyOIAAECGUYRLFBK-LURJTMIESA-N
MW159.23 g/mol
LogP0.67
Rot. Bonds2

About (2S)-N-tert-butyl-2-hydroxybutanamide

(2S)-N-tert-butyl-2-hydroxybutanamide (PubChem CID 177078677) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-hydroxybutanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-hydroxybutanamide
PubChem CID177078677
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-N-tert-butyl-2-hydroxybutanamide
SMILESCC[C@H](O)C(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-6(10)7(11)9-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1
InChIKeyOIAAECGUYRLFBK-LURJTMIESA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-hydroxybutanamide?
The IUPAC name of (2S)-N-tert-butyl-2-hydroxybutanamide (CID 177078677) is (2S)-N-tert-butyl-2-hydroxybutanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-hydroxybutanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-hydroxybutanamide is CC[C@H](O)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-hydroxybutanamide?
The InChIKey is OIAAECGUYRLFBK-LURJTMIESA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-6(10)7(11)9-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-hydroxybutanamide?
(2S)-N-tert-butyl-2-hydroxybutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-hydroxybutanamide is sourced from PubChem (CID 177078677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).