(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid

C13H24N2O5 — CID 104860990

IUPAC(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCOCCCCNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H24N2O5/c1-19-9-10-20-8-3-2-6-14-13(18)15-7-4-5-11(15)12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeyAJOCLCCSYKYZJO-LLVKDONJSA-N
MW288.34 g/mol
LogP0.69
Rot. Bonds9

About (2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 104860990) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is (2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID104860990
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCOCCCCNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H24N2O5/c1-19-9-10-20-8-3-2-6-14-13(18)15-7-4-5-11(15)12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeyAJOCLCCSYKYZJO-LLVKDONJSA-N
XLogP0.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 82943085
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
1-(3-propoxypropylcarbamoyl)azepane-2-carboxylic acid
CID 82943948
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
CID 103994468
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63833712
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
(2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83204921
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 104860990) is (2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid is COCCOCCCCNC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AJOCLCCSYKYZJO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-19-9-10-20-8-3-2-6-14-13(18)15-7-4-5-11(15)12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104860990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).