N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide

C11H21NO3 — CID 97243063

IUPACN-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC[C@@]1(O)CCOC1
InChIInChI=1S/C11H21NO3/c1-9(2)3-4-10(13)12-7-11(14)5-6-15-8-11/h9,14H,3-8H2,1-2H3,(H,12,13)/t11-/m0/s1
InChIKeyJPNRIBZDQHQHPH-NSHDSACASA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds5

About N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide

N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide (PubChem CID 97243063) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
PubChem CID97243063
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC[C@@]1(O)CCOC1
InChIInChI=1S/C11H21NO3/c1-9(2)3-4-10(13)12-7-11(14)5-6-15-8-11/h9,14H,3-8H2,1-2H3,(H,12,13)/t11-/m0/s1
InChIKeyJPNRIBZDQHQHPH-NSHDSACASA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide?
The IUPAC name of N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide (CID 97243063) is N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide.
What is the SMILES notation for N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide?
The canonical SMILES for N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide is CC(C)CCC(=O)NC[C@@]1(O)CCOC1.
What is the InChIKey of N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide?
The InChIKey is JPNRIBZDQHQHPH-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)3-4-10(13)12-7-11(14)5-6-15-8-11/h9,14H,3-8H2,1-2H3,(H,12,13)/t11-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide?
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide has a molecular weight of 215.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide is sourced from PubChem (CID 97243063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).