1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid

C14H24N2O5 — CID 63148145

IUPAC1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCOC(=O)CCN(C)C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-4-14(12(18)19)7-9-16(10-14)13(20)15(3)8-6-11(17)21-5-2/h4-10H2,1-3H3,(H,18,19)
InChIKeyIRSILGNUBSWDQZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.18
Rot. Bonds6

About 1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid

1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63148145) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63148145
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCOC(=O)CCN(C)C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-4-14(12(18)19)7-9-16(10-14)13(20)15(3)8-6-11(17)21-5-2/h4-10H2,1-3H3,(H,18,19)
InChIKeyIRSILGNUBSWDQZ-UHFFFAOYSA-N
XLogP1.18
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145461
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55165576
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149603
4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid
CID 63127367
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281
3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63135670
1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164151
1-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147067
3-ethyl-1-[2-methoxyethyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147459

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid (CID 63148145) is 1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid is CCOC(=O)CCN(C)C(=O)N1CCC(CC)(C(=O)O)C1.
What is the InChIKey of 1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is IRSILGNUBSWDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-14(12(18)19)7-9-16(10-14)13(20)15(3)8-6-11(17)21-5-2/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).