(2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide

C8H15NO2 — CID 89267071

IUPAC(2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide
SMILESC[C@](O)(CCC1CC1)C(N)=O
InChIInChI=1S/C8H15NO2/c1-8(11,7(9)10)5-4-6-2-3-6/h6,11H,2-5H2,1H3,(H2,9,10)/t8-/m0/s1
InChIKeyNCLYCUMTHQPTJU-QMMMGPOBSA-N
MW157.21 g/mol
LogP0.41
Rot. Bonds4

About (2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide

(2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide (PubChem CID 89267071) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide
PubChem CID89267071
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide
SMILESC[C@](O)(CCC1CC1)C(N)=O
InChIInChI=1S/C8H15NO2/c1-8(11,7(9)10)5-4-6-2-3-6/h6,11H,2-5H2,1H3,(H2,9,10)/t8-/m0/s1
InChIKeyNCLYCUMTHQPTJU-QMMMGPOBSA-N
XLogP0.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide?
The IUPAC name of (2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide (CID 89267071) is (2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide.
What is the SMILES notation for (2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide?
The canonical SMILES for (2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide is C[C@](O)(CCC1CC1)C(N)=O.
What is the InChIKey of (2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide?
The InChIKey is NCLYCUMTHQPTJU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(11,7(9)10)5-4-6-2-3-6/h6,11H,2-5H2,1H3,(H2,9,10)/t8-/m0/s1.
What are the key properties of (2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide?
(2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide has a molecular weight of 157.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide is sourced from PubChem (CID 89267071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).