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

C14H26N2O5 — CID 63147332

IUPAC1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCCCN(CCOC)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H26N2O5/c1-14(12(17)18)5-7-16(11-14)13(19)15(8-10-21-3)6-4-9-20-2/h4-11H2,1-3H3,(H,17,18)
InChIKeyHJFDFBVZBUPREV-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.89
Rot. Bonds8

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

1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63147332) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63147332
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCCCN(CCOC)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H26N2O5/c1-14(12(17)18)5-7-16(11-14)13(19)15(8-10-21-3)6-4-9-20-2/h4-11H2,1-3H3,(H,17,18)
InChIKeyHJFDFBVZBUPREV-UHFFFAOYSA-N
XLogP0.89
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149085
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124086
3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55165576
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149168
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683119
3-methyl-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147172
3-ethyl-1-[2-methoxyethyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147459
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096795
2-[(2,2-dimethylmorpholine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79270357
N,N-bis(2-methoxyethyl)piperidine-1-carboxamide
CID 115578688
1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146947

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63147332) is 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is COCCCN(CCOC)C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HJFDFBVZBUPREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-14(12(17)18)5-7-16(11-14)13(19)15(8-10-21-3)6-4-9-20-2/h4-11H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).