1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C13H22N2O4 — CID 103339670

IUPAC1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESC=CCN(CCOC)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H22N2O4/c1-4-6-14(8-9-19-3)13(18)15-7-5-11(10(15)2)12(16)17/h4,10-11H,1,5-9H2,2-3H3,(H,16,17)
InChIKeyPEYKZXFRDNFWKS-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.04
Rot. Bonds6

About 1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 103339670) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID103339670
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESC=CCN(CCOC)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H22N2O4/c1-4-6-14(8-9-19-3)13(18)15-7-5-11(10(15)2)12(16)17/h4,10-11H,1,5-9H2,2-3H3,(H,16,17)
InChIKeyPEYKZXFRDNFWKS-UHFFFAOYSA-N
XLogP1.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methoxyethyl(pentan-3-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377381
1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382684
1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781990
2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid
CID 79364112
2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79272643
2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 103339758
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338592
4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430554
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 102865569
1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81102347
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103516152

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 103339670) is 1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is C=CCN(CCOC)C(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is PEYKZXFRDNFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-6-14(8-9-19-3)13(18)15-7-5-11(10(15)2)12(16)17/h4,10-11H,1,5-9H2,2-3H3,(H,16,17).
What are the key properties of 1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103339670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).