tetradecanoyl (2R)-pyrrolidine-2-carboxylate

C19H35NO3 — CID 90102805

IUPACtetradecanoyl (2R)-pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)[C@H]1CCCN1
InChIInChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)23-19(22)17-14-13-16-20-17/h17,20H,2-16H2,1H3/t17-/m1/s1
InChIKeyLFZJRZWBWSDQCX-QGZVFWFLSA-N
MW325.49 g/mol
LogP4.51
Rot. Bonds13

About tetradecanoyl (2R)-pyrrolidine-2-carboxylate

tetradecanoyl (2R)-pyrrolidine-2-carboxylate (PubChem CID 90102805) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is tetradecanoyl (2R)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametetradecanoyl (2R)-pyrrolidine-2-carboxylate
PubChem CID90102805
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Nametetradecanoyl (2R)-pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)[C@H]1CCCN1
InChIInChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)23-19(22)17-14-13-16-20-17/h17,20H,2-16H2,1H3/t17-/m1/s1
InChIKeyLFZJRZWBWSDQCX-QGZVFWFLSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

decanoyl (2S)-pyrrolidine-2-carboxylate
CID 89052284
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
heptyl pyrrolidine-2-carboxylate
CID 14777077
hexanoyl cyclopropanecarboxylate
CID 174962910
(8-heptadecan-9-yloxy-8-oxooctyl) pyrrolidine-2-carboxylate
CID 176905476
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
octyl (2R)-piperidine-2-carboxylate
CID 11096763
hexyl azocane-2-carboxylate
CID 114239843
dodecanoyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 90778333
octadecanoyl 5-oxopyrrolidine-2-carboxylate
CID 21290752
propanethioyl (2S)-pyrrolidine-2-carboxylate
CID 88795719
piperidin-2-yl octadecanoate
CID 54524837

Frequently Asked Questions

What is the IUPAC name of tetradecanoyl (2R)-pyrrolidine-2-carboxylate?
The IUPAC name of tetradecanoyl (2R)-pyrrolidine-2-carboxylate (CID 90102805) is tetradecanoyl (2R)-pyrrolidine-2-carboxylate.
What is the SMILES notation for tetradecanoyl (2R)-pyrrolidine-2-carboxylate?
The canonical SMILES for tetradecanoyl (2R)-pyrrolidine-2-carboxylate is CCCCCCCCCCCCCC(=O)OC(=O)[C@H]1CCCN1.
What is the InChIKey of tetradecanoyl (2R)-pyrrolidine-2-carboxylate?
The InChIKey is LFZJRZWBWSDQCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)23-19(22)17-14-13-16-20-17/h17,20H,2-16H2,1H3/t17-/m1/s1.
What are the key properties of tetradecanoyl (2R)-pyrrolidine-2-carboxylate?
tetradecanoyl (2R)-pyrrolidine-2-carboxylate has a molecular weight of 325.49 g/mol, XLogP of 4.51, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecanoyl (2R)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 90102805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).