1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid

C18H28N2O6 — CID 22398183

IUPAC1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)C1CCCN1C(=O)CCCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C18H28N2O6/c1-2-26-18(25)14-8-6-12-20(14)16(22)10-4-3-9-15(21)19-11-5-7-13(19)17(23)24/h13-14H,2-12H2,1H3,(H,23,24)
InChIKeyPJEZRHWCORTKKF-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.18
Rot. Bonds8

About 1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid

1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 22398183) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
PubChem CID22398183
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)C1CCCN1C(=O)CCCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C18H28N2O6/c1-2-26-18(25)14-8-6-12-20(14)16(22)10-4-3-9-15(21)19-11-5-7-13(19)17(23)24/h13-14H,2-12H2,1H3,(H,23,24)
InChIKeyPJEZRHWCORTKKF-UHFFFAOYSA-N
XLogP1.18
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
CID 160598111
CID 160598111
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
(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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid (CID 22398183) is 1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid is CCOC(=O)C1CCCN1C(=O)CCCCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PJEZRHWCORTKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O6/c1-2-26-18(25)14-8-6-12-20(14)16(22)10-4-3-9-15(21)19-11-5-7-13(19)17(23)24/h13-14H,2-12H2,1H3,(H,23,24).
What are the key properties of 1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid?
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22398183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).