1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid

C15H18N2O5 — CID 119356620

IUPAC1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(COc1ccccc1)NCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H18N2O5/c18-13(10-22-11-5-2-1-3-6-11)16-9-14(19)17-8-4-7-12(17)15(20)21/h1-3,5-6,12H,4,7-10H2,(H,16,18)(H,20,21)
InChIKeyFUGGBTRBDUURKN-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.26
Rot. Bonds6

About 1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid

1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356620) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119356620
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(COc1ccccc1)NCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H18N2O5/c18-13(10-22-11-5-2-1-3-6-11)16-9-14(19)17-8-4-7-12(17)15(20)21/h1-3,5-6,12H,4,7-10H2,(H,16,18)(H,20,21)
InChIKeyFUGGBTRBDUURKN-UHFFFAOYSA-N
XLogP0.26
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-phenoxybutanoylamino)acetyl]pyrrolidine-2-carboxylic acid;toluene
CID 163225404
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941
(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922418
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
(2S)-1-(2-phenoxyacetyl)-N-[4-[2-[4-[[(2S)-1-(2-phenoxyacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 90824752
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid (CID 119356620) is 1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid is O=C(COc1ccccc1)NCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FUGGBTRBDUURKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c18-13(10-22-11-5-2-1-3-6-11)16-9-14(19)17-8-4-7-12(17)15(20)21/h1-3,5-6,12H,4,7-10H2,(H,16,18)(H,20,21).
What are the key properties of 1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).