(2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid

C20H32N2O6 — CID 90757366

IUPAC(2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CCCCCCCCN1CCC[C@@H]1C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C20H32N2O6/c23-17(18(24)22-14-8-10-16(22)20(27)28)11-5-3-1-2-4-6-12-21-13-7-9-15(21)19(25)26/h15-16H,1-14H2,(H,25,26)(H,27,28)/t15-,16-/m1/s1
InChIKeyOFROVARVCFAZJV-HZPDHXFCSA-N
MW396.48 g/mol
LogP1.91
Rot. Bonds12

About (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid

(2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid (PubChem CID 90757366) has the molecular formula C20H32N2O6 and a molecular weight of 396.48 g/mol. Its IUPAC name is (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid
PubChem CID90757366
Molecular FormulaC20H32N2O6
Molecular Weight396.48 g/mol
Exact Mass396.23
IUPAC Name(2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CCCCCCCCN1CCC[C@@H]1C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C20H32N2O6/c23-17(18(24)22-14-8-10-16(22)20(27)28)11-5-3-1-2-4-6-12-21-13-7-9-15(21)19(25)26/h15-16H,1-14H2,(H,25,26)(H,27,28)/t15-,16-/m1/s1
InChIKeyOFROVARVCFAZJV-HZPDHXFCSA-N
XLogP1.91
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
CID 150619819
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
CID 172742310
CID 172742310
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
1-(3-methylsulfanylpropyl)pyrrolidine-2-carboxylic acid
CID 65056170
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(3-carboxypropyl)azetidine-2-carboxylic acid
CID 145117492
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid (CID 90757366) is (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid is O=C(CCCCCCCCN1CCC[C@@H]1C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OFROVARVCFAZJV-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H32N2O6/c23-17(18(24)22-14-8-10-16(22)20(27)28)11-5-3-1-2-4-6-12-21-13-7-9-15(21)19(25)26/h15-16H,1-14H2,(H,25,26)(H,27,28)/t15-,16-/m1/s1.
What are the key properties of (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid has a molecular weight of 396.48 g/mol, XLogP of 1.91, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90757366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).