dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

C17H33NO3 — CID 15870711

IUPACdodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCOC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-21-17(20)16-13-15(19)14-18-16/h15-16,18-19H,2-14H2,1H3/t15-,16+/m1/s1
InChIKeyVSOQLCPMWKKWSV-CVEARBPZSA-N
MW299.45 g/mol
LogP3.17
Rot. Bonds12

About dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 15870711) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namedodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID15870711
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Namedodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCOC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-21-17(20)16-13-15(19)14-18-16/h15-16,18-19H,2-14H2,1H3/t15-,16+/m1/s1
InChIKeyVSOQLCPMWKKWSV-CVEARBPZSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.17
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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Related Compounds

(2S,4S)-4-butan-2-yloxypyrrolidine-2-carboxylic acid
CID 54582775
4-Hydroxy-L-proline methyl ester hydrochloride
CID 11435319
(4R)-4-(1,1-Dimethylethoxy)-L-proline
CID 7408289
(2S,4R)-4-methoxypyrrolidine-2-carboxylic acid
CID 12849451
(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid
CID 12849452
Methyl 4-hydroxypyrrolidine-2-carboxylate hydrochloride
CID 16242427
L-Proline, 4-ethoxy-, trans-
CID 45115929
Ethyl trans-4-hydroxy-L-prolinate hydrochloride
CID 12709304
Ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
CID 12709308
Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
CID 12764090
cis-4-Hydroxy-L-proline methyl ester hydrochloride
CID 12764092
Methyl (2R,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
CID 44118802

Frequently Asked Questions

What is the IUPAC name of dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate (CID 15870711) is dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate is CCCCCCCCCCCCOC(=O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is VSOQLCPMWKKWSV-CVEARBPZSA-N. The full InChI is InChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-21-17(20)16-13-15(19)14-18-16/h15-16,18-19H,2-14H2,1H3/t15-,16+/m1/s1.
What are the key properties of dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 299.45 g/mol, XLogP of 3.17, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 15870711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).