hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid

C21H42N2O4 — CID 68555217

IUPAChexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCCCCCC(N)=O.O=C(O)[C@H]1NCCC1O
InChIInChI=1S/C16H33NO.C5H9NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-3-1-2-6-4(3)5(8)9/h2-15H2,1H3,(H2,17,18);3-4,6-7H,1-2H2,(H,8,9)/t;3?,4-/m.0/s1
InChIKeySLLTZPZIXRCOIH-WBXITKJCSA-N
MW386.58 g/mol
LogP3.75
Rot. Bonds15

About hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid

hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 68555217) has the molecular formula C21H42N2O4 and a molecular weight of 386.58 g/mol. Its IUPAC name is hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namehexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid
PubChem CID68555217
Molecular FormulaC21H42N2O4
Molecular Weight386.58 g/mol
Exact Mass386.31
IUPAC Namehexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCCCCCC(N)=O.O=C(O)[C@H]1NCCC1O
InChIInChI=1S/C16H33NO.C5H9NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-3-1-2-6-4(3)5(8)9/h2-15H2,1H3,(H2,17,18);3-4,6-7H,1-2H2,(H,8,9)/t;3?,4-/m.0/s1
InChIKeySLLTZPZIXRCOIH-WBXITKJCSA-N
XLogP3.75
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.75
H-Bond Donors ≤ 54
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 hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid (CID 68555217) is hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid is CCCCCCCCCCCCCCCC(N)=O.O=C(O)[C@H]1NCCC1O.
What is the InChIKey of hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is SLLTZPZIXRCOIH-WBXITKJCSA-N. The full InChI is InChI=1S/C16H33NO.C5H9NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-3-1-2-6-4(3)5(8)9/h2-15H2,1H3,(H2,17,18);3-4,6-7H,1-2H2,(H,8,9)/t;3?,4-/m.0/s1.
What are the key properties of hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid?
hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 386.58 g/mol, XLogP of 3.75, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanamide;(2S)-3-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 68555217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).