4-cyclopropyl-2-hydroxy-3-methylbutanamide

C8H15NO2 — CID 58846227

IUPAC4-cyclopropyl-2-hydroxy-3-methylbutanamide
SMILESCC(CC1CC1)C(O)C(N)=O
InChIInChI=1S/C8H15NO2/c1-5(4-6-2-3-6)7(10)8(9)11/h5-7,10H,2-4H2,1H3,(H2,9,11)
InChIKeyRLLGIFSXMRBXHL-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.27
Rot. Bonds4

About 4-cyclopropyl-2-hydroxy-3-methylbutanamide

4-cyclopropyl-2-hydroxy-3-methylbutanamide (PubChem CID 58846227) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-cyclopropyl-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name4-cyclopropyl-2-hydroxy-3-methylbutanamide
PubChem CID58846227
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-cyclopropyl-2-hydroxy-3-methylbutanamide
SMILESCC(CC1CC1)C(O)C(N)=O
InChIInChI=1S/C8H15NO2/c1-5(4-6-2-3-6)7(10)8(9)11/h5-7,10H,2-4H2,1H3,(H2,9,11)
InChIKeyRLLGIFSXMRBXHL-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-hydroxy-3-methylbutanamide?
The IUPAC name of 4-cyclopropyl-2-hydroxy-3-methylbutanamide (CID 58846227) is 4-cyclopropyl-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for 4-cyclopropyl-2-hydroxy-3-methylbutanamide?
The canonical SMILES for 4-cyclopropyl-2-hydroxy-3-methylbutanamide is CC(CC1CC1)C(O)C(N)=O.
What is the InChIKey of 4-cyclopropyl-2-hydroxy-3-methylbutanamide?
The InChIKey is RLLGIFSXMRBXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(4-6-2-3-6)7(10)8(9)11/h5-7,10H,2-4H2,1H3,(H2,9,11).
What are the key properties of 4-cyclopropyl-2-hydroxy-3-methylbutanamide?
4-cyclopropyl-2-hydroxy-3-methylbutanamide has a molecular weight of 157.21 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 58846227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).