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

C16H22N2O3 — CID 79370399

IUPAC2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)CN1CCC(C(=O)O)C1C)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-11(13-6-4-3-5-7-13)17-15(19)10-18-9-8-14(12(18)2)16(20)21/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyRWXWHGGTZCRXHM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.66
Rot. Bonds5

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

2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 79370399) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID79370399
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)CN1CCC(C(=O)O)C1C)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-11(13-6-4-3-5-7-13)17-15(19)10-18-9-8-14(12(18)2)16(20)21/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyRWXWHGGTZCRXHM-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
CID 63250347
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468
2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide
CID 50847559
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
CID 65448844
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 79371567
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid (CID 79370399) is 2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid is CC(NC(=O)CN1CCC(C(=O)O)C1C)c1ccccc1.
What is the InChIKey of 2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RWXWHGGTZCRXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(13-6-4-3-5-7-13)17-15(19)10-18-9-8-14(12(18)2)16(20)21/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79370399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).