tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate

C19H35NO3 — CID 22840767

IUPACtetradecyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-19(22)17-14-15-18(21)20-17/h17H,2-16H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyPMWMXMYOKCFDIB-KRWDZBQOSA-N
MW325.49 g/mol
LogP4.51
Rot. Bonds14

About tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate

tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 22840767) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametetradecyl (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID22840767
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Nametetradecyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-19(22)17-14-15-18(21)20-17/h17H,2-16H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyPMWMXMYOKCFDIB-KRWDZBQOSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
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 ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 5-oxo-L-prolinate
CID 2724446
Butyl 5-oxo-L-prolinate
CID 107609
Lauryl PCA
CID 173414
Butyl 5-oxopyrrolidine-2-carboxylate
CID 4460732
5-Oxoproline ethyl ester
CID 98047
Cetyl PCA
CID 18654323
2-Amino-6-((R)-4-amino-5-oxo-5-(undecyloxy)pentanamido)heptanedioic Acid
CID 51350012
2-Amino-6-((R)-4-dodecanamido-5-ethoxy-5-oxopentanamido)heptanedioic Acid
CID 51350159
(2R)-5-[(6-amino-1,7-diethoxy-1,7-dioxoheptan-2-yl)amino]-2-(dodecanoylamino)-5-oxopentanoic acid
CID 51350163
Octyldodecyl pca
CID 18654320
ethyl (2R)-5-oxopyrrolidine-2-carboxylate
CID 643508
Isopropyl 5-oxo-L-prolinate
CID 14038124

Frequently Asked Questions

What is the IUPAC name of tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate (CID 22840767) is tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate is CCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is PMWMXMYOKCFDIB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-19(22)17-14-15-18(21)20-17/h17H,2-16H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate?
tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 325.49 g/mol, XLogP of 4.51, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 22840767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).