3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C16H22N2O3 — CID 63148892

IUPAC3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)N(C)c2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-3-16(15(20)21)9-10-18(12-16)11-14(19)17(2)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,20,21)
InChIKeyVJVJSZWBGQLBHF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds5

About 3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148892) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID63148892
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)N(C)c2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-3-16(15(20)21)9-10-18(12-16)11-14(19)17(2)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,20,21)
InChIKeyVJVJSZWBGQLBHF-UHFFFAOYSA-N
XLogP1.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136962
3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65063893
3-ethyl-1-[(2-ethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65064228
N-methyl-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]-N-phenylacetamide
CID 97120184
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148388
1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176812
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
2-[(4aR,8aR)-4a-hydroxy-7-methylsulfonyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-N-methyl-N-phenylacetamide
CID 72874031
1-[3-(dimethylamino)benzoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63144613
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 65064280

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 63148892) is 3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(CC(=O)N(C)c2ccccc2)C1.
What is the InChIKey of 3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VJVJSZWBGQLBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-16(15(20)21)9-10-18(12-16)11-14(19)17(2)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,20,21).
What are the key properties of 3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).