1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C16H22N2O3 — CID 63032577

IUPAC1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCN(Cc1ccccc1)C(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-2-18(10-13-6-4-3-5-7-13)15(19)12-17-9-8-14(11-17)16(20)21/h3-7,14H,2,8-12H2,1H3,(H,20,21)
InChIKeyGPMISJIHRIIASP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.44
Rot. Bonds6

About 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032577) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID63032577
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCN(Cc1ccccc1)C(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-2-18(10-13-6-4-3-5-7-13)15(19)12-17-9-8-14(11-17)16(20)21/h3-7,14H,2,8-12H2,1H3,(H,20,21)
InChIKeyGPMISJIHRIIASP-UHFFFAOYSA-N
XLogP1.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904711
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
(3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 8545424
1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907822
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904141

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 63032577) is 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is CCN(Cc1ccccc1)C(=O)CN1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GPMISJIHRIIASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-18(10-13-6-4-3-5-7-13)15(19)12-17-9-8-14(11-17)16(20)21/h3-7,14H,2,8-12H2,1H3,(H,20,21).
What are the key properties of 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).