1-decyl-2-ethylpyrrolidine-2-carboxylic acid

C17H33NO2 — CID 83080199

IUPAC1-decyl-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCN1CCCC1(CC)C(=O)O
InChIInChI=1S/C17H33NO2/c1-3-5-6-7-8-9-10-11-14-18-15-12-13-17(18,4-2)16(19)20/h3-15H2,1-2H3,(H,19,20)
InChIKeyJZSIZMRPKLSBAB-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.46
Rot. Bonds11

About 1-decyl-2-ethylpyrrolidine-2-carboxylic acid

1-decyl-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83080199) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-decyl-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-decyl-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83080199
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-decyl-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCN1CCCC1(CC)C(=O)O
InChIInChI=1S/C17H33NO2/c1-3-5-6-7-8-9-10-11-14-18-15-12-13-17(18,4-2)16(19)20/h3-15H2,1-2H3,(H,19,20)
InChIKeyJZSIZMRPKLSBAB-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.46
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

2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080806
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
1-decyl-2-hydroxypyrrolidine-2-carboxylic acid
CID 66691415
2-hexyl-1-methylpyrrolidine-2-carboxylic acid
CID 68621509
(2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid
CID 163255464
2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid
CID 83079929
2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
CID 83070929
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 83080106
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-decyl-2-ethylpyrrolidine-2-carboxylic acid (CID 83080199) is 1-decyl-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-decyl-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-decyl-2-ethylpyrrolidine-2-carboxylic acid is CCCCCCCCCCN1CCCC1(CC)C(=O)O.
What is the InChIKey of 1-decyl-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is JZSIZMRPKLSBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-5-6-7-8-9-10-11-14-18-15-12-13-17(18,4-2)16(19)20/h3-15H2,1-2H3,(H,19,20).
What are the key properties of 1-decyl-2-ethylpyrrolidine-2-carboxylic acid?
1-decyl-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 283.46 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).