N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide

C9H19NO2 — CID 39236462

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide
SMILESCCC(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C9H19NO2/c1-4-9(12)10-8(6-11)5-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t8-/m0/s1
InChIKeyXHGYVNOFOWQROE-QMMMGPOBSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds5

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide (PubChem CID 39236462) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide
PubChem CID39236462
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide
SMILESCCC(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C9H19NO2/c1-4-9(12)10-8(6-11)5-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t8-/m0/s1
InChIKeyXHGYVNOFOWQROE-QMMMGPOBSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide (CID 39236462) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide is CCC(=O)N[C@H](CO)CC(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide?
The InChIKey is XHGYVNOFOWQROE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-9(12)10-8(6-11)5-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide is sourced from PubChem (CID 39236462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).