1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid

C17H24N2O3 — CID 119904107

IUPAC1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCCC(NC(=O)CN1CCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-2-6-15(13-7-4-3-5-8-13)18-16(20)12-19-10-9-14(11-19)17(21)22/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,20)(H,21,22)
InChIKeyUADFPSNCKMQNMH-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.05
Rot. Bonds7

About 1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid

1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 119904107) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID119904107
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCCC(NC(=O)CN1CCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-2-6-15(13-7-4-3-5-8-13)18-16(20)12-19-10-9-14(11-19)17(21)22/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,20)(H,21,22)
InChIKeyUADFPSNCKMQNMH-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 110891594
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide
CID 86908311
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590
(3aS,6aR)-2-[2-oxo-2-(1-phenylbutylamino)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680915
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid (CID 119904107) is 1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid is CCCC(NC(=O)CN1CCC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UADFPSNCKMQNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-6-15(13-7-4-3-5-8-13)18-16(20)12-19-10-9-14(11-19)17(21)22/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid?
1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119904107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).