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

C15H21N3O3 — CID 107324880

IUPAC3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCc1cccc(NC(=O)CN2CCC(N)(C(=O)O)C2)c1
InChIInChI=1S/C15H21N3O3/c1-2-11-4-3-5-12(8-11)17-13(19)9-18-7-6-15(16,10-18)14(20)21/h3-5,8H,2,6-7,9-10,16H2,1H3,(H,17,19)(H,20,21)
InChIKeyWAZRPRIGYOEXJU-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.68
Rot. Bonds5

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

3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324880) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID107324880
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCc1cccc(NC(=O)CN2CCC(N)(C(=O)O)C2)c1
InChIInChI=1S/C15H21N3O3/c1-2-11-4-3-5-12(8-11)17-13(19)9-18-7-6-15(16,10-18)14(20)21/h3-5,8H,2,6-7,9-10,16H2,1H3,(H,17,19)(H,20,21)
InChIKeyWAZRPRIGYOEXJU-UHFFFAOYSA-N
XLogP0.68
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107325039
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104
3-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324469
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 119926805
3-amino-1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324973
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119926804
3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 107324258
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 107324880) is 3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CCc1cccc(NC(=O)CN2CCC(N)(C(=O)O)C2)c1.
What is the InChIKey of 3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WAZRPRIGYOEXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-11-4-3-5-12(8-11)17-13(19)9-18-7-6-15(16,10-18)14(20)21/h3-5,8H,2,6-7,9-10,16H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).