(2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane

C19H40NO2P — CID 175590422

IUPAC(2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane
SMILESCCCCCCCCCCCCCCP.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C14H31P.C5H9NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;7-5(8)4-2-1-3-6-4/h2-15H2,1H3;4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyRUEJNUWTSPSISY-VWMHFEHESA-N
MW345.51 g/mol
LogP5.39
Rot. Bonds13

About (2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane

(2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane (PubChem CID 175590422) has the molecular formula C19H40NO2P and a molecular weight of 345.51 g/mol. Its IUPAC name is (2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane.

Molecular Properties

Compound Name(2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane
PubChem CID175590422
Molecular FormulaC19H40NO2P
Molecular Weight345.51 g/mol
Exact Mass345.28
IUPAC Name(2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane
SMILESCCCCCCCCCCCCCCP.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C14H31P.C5H9NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;7-5(8)4-2-1-3-6-4/h2-15H2,1H3;4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyRUEJNUWTSPSISY-VWMHFEHESA-N
XLogP5.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.51
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112

Frequently Asked Questions

What is the IUPAC name of (2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane?
The IUPAC name of (2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane (CID 175590422) is (2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane.
What is the SMILES notation for (2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane?
The canonical SMILES for (2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane is CCCCCCCCCCCCCCP.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane?
The InChIKey is RUEJNUWTSPSISY-VWMHFEHESA-N. The full InChI is InChI=1S/C14H31P.C5H9NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;7-5(8)4-2-1-3-6-4/h2-15H2,1H3;4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1.
What are the key properties of (2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane?
(2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane has a molecular weight of 345.51 g/mol, XLogP of 5.39, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane is sourced from PubChem (CID 175590422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).