(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide

C12H21NO4 — CID 93120693

IUPAC(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide
SMILESCCCCC[C@H](O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyXCZVBYOXRSFQBH-UWVGGRQHSA-N
MW243.30 g/mol
LogP0.75
Rot. Bonds7

About (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide

(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide (PubChem CID 93120693) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide
PubChem CID93120693
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide
SMILESCCCCC[C@H](O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyXCZVBYOXRSFQBH-UWVGGRQHSA-N
XLogP0.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide?
The IUPAC name of (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide (CID 93120693) is (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide?
The canonical SMILES for (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide is CCCCC[C@H](O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide?
The InChIKey is XCZVBYOXRSFQBH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide?
(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide has a molecular weight of 243.30 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide is sourced from PubChem (CID 93120693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).