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

C14H25NO4 — CID 98092409

IUPAC(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide
SMILESCCCCCCC[C@H](O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H25NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h11-12,16H,2-10H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyDOICJCCMIBBSOO-RYUDHWBXSA-N
MW271.36 g/mol
LogP1.53
Rot. Bonds9

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

(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide (PubChem CID 98092409) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide
PubChem CID98092409
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide
SMILESCCCCCCC[C@H](O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H25NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h11-12,16H,2-10H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyDOICJCCMIBBSOO-RYUDHWBXSA-N
XLogP1.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.53
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]decanamide?
The IUPAC name of (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide (CID 98092409) is (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide?
The canonical SMILES for (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide is CCCCCCC[C@H](O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide?
The InChIKey is DOICJCCMIBBSOO-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h11-12,16H,2-10H2,1H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide?
(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide has a molecular weight of 271.36 g/mol, XLogP of 1.53, 9 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]decanamide is sourced from PubChem (CID 98092409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).