1-nonylpyrrolidine-2-carboxylic acid

C14H27NO2 — CID 43441741

IUPAC1-nonylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCN1CCCC1C(=O)O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-11-15-12-9-10-13(15)14(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyAJUSUIBTMOSMAV-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.29
Rot. Bonds9

About 1-nonylpyrrolidine-2-carboxylic acid

1-nonylpyrrolidine-2-carboxylic acid (PubChem CID 43441741) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-nonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-nonylpyrrolidine-2-carboxylic acid
PubChem CID43441741
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-nonylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCN1CCCC1C(=O)O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-11-15-12-9-10-13(15)14(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyAJUSUIBTMOSMAV-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 172742310
CID 172742310
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-(3-methylsulfanylpropyl)pyrrolidine-2-carboxylic acid
CID 65056170
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
1-butylpyrrolidine-2-carboxamide
CID 19388617
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126
1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036162
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-1-hexadecylpyrrolidine-2-carboxylic acid
CID 160629894

Frequently Asked Questions

What is the IUPAC name of 1-nonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-nonylpyrrolidine-2-carboxylic acid (CID 43441741) is 1-nonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-nonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-nonylpyrrolidine-2-carboxylic acid is CCCCCCCCCN1CCCC1C(=O)O.
What is the InChIKey of 1-nonylpyrrolidine-2-carboxylic acid?
The InChIKey is AJUSUIBTMOSMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-11-15-12-9-10-13(15)14(16)17/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of 1-nonylpyrrolidine-2-carboxylic acid?
1-nonylpyrrolidine-2-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).