(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid

C14H17NO5 — CID 39165023

IUPAC(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(OCC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C14H17NO5/c1-19-10-4-2-5-11(8-10)20-9-13(16)15-7-3-6-12(15)14(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyDYZDRFGSKLHCOS-GFCCVEGCSA-N
MW279.29 g/mol
LogP1.15
Rot. Bonds5

About (2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 39165023) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID39165023
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(OCC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C14H17NO5/c1-19-10-4-2-5-11(8-10)20-9-13(16)15-7-3-6-12(15)14(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyDYZDRFGSKLHCOS-GFCCVEGCSA-N
XLogP1.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678
1-[2-(3-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 119357019
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
(2R)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688281
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922418
2-(4-methoxyphenoxy)-1-[(2S)-1-[(2R)-1-(2-phenoxyacetyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 67771461
(3R,3aR,6aR)-2-[2-(3-methoxyphenoxy)acetyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129469043
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid (CID 39165023) is (2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid is COc1cccc(OCC(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DYZDRFGSKLHCOS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-10-4-2-5-11(8-10)20-9-13(16)15-7-3-6-12(15)14(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 39165023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).