potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate

C19H34KNO3 — CID 177344572

IUPACpotassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-].[K+]
InChIInChI=1S/C19H35NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)20-16-13-14-17(20)19(22)23;/h17H,2-16H2,1H3,(H,22,23);/q;+1/p-1/t17-;/m0./s1
InChIKeyOKBDDYZANCSJDA-LMOVPXPDSA-M
MW363.58 g/mol
LogP0.43
Rot. Bonds13

About potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate

potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate (PubChem CID 177344572) has the molecular formula C19H34KNO3 and a molecular weight of 363.58 g/mol. Its IUPAC name is potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepotassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
PubChem CID177344572
Molecular FormulaC19H34KNO3
Molecular Weight363.58 g/mol
Exact Mass363.22
IUPAC Namepotassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-].[K+]
InChIInChI=1S/C19H35NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)20-16-13-14-17(20)19(22)23;/h17H,2-16H2,1H3,(H,22,23);/q;+1/p-1/t17-;/m0./s1
InChIKeyOKBDDYZANCSJDA-LMOVPXPDSA-M
XLogP0.43
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
CID 160598111
CID 160598111
(2S)-1-octadec-9-enoylpyrrolidine-2-carboxylic acid
CID 54443907
(2S)-1-[(Z)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid
CID 52922068
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271
1-decanoylazepane-2-carboxylic acid
CID 64558604
1-tetradecanoylpyrrolidine-2-carbaldehyde
CID 139473494
methyl (2S)-1-[(Z)-docos-13-enoyl]pyrrolidine-2-carboxylate
CID 70363053
(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]pyrrolidine-2-carboxylic acid
CID 71587491
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate?
The IUPAC name of potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate (CID 177344572) is potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate.
What is the SMILES notation for potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate?
The canonical SMILES for potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate is CCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-].[K+].
What is the InChIKey of potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate?
The InChIKey is OKBDDYZANCSJDA-LMOVPXPDSA-M. The full InChI is InChI=1S/C19H35NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)20-16-13-14-17(20)19(22)23;/h17H,2-16H2,1H3,(H,22,23);/q;+1/p-1/t17-;/m0./s1.
What are the key properties of potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate?
potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate has a molecular weight of 363.58 g/mol, XLogP of 0.43, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 177344572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).