(2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid

C24H26N2O8 — CID 54288445

IUPAC(2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)COc1cccc2c(OCC(=O)N3CCC[C@@H]3C(=O)O)cccc12
InChIInChI=1S/C24H26N2O8/c27-21(25-11-3-7-17(25)23(29)30)13-33-19-9-1-5-15-16(19)6-2-10-20(15)34-14-22(28)26-12-4-8-18(26)24(31)32/h1-2,5-6,9-10,17-18H,3-4,7-8,11-14H2,(H,29,30)(H,31,32)/t17-,18-/m1/s1
InChIKeyRVUZRAPKKUPCHB-QZTJIDSGSA-N
MW470.48 g/mol
LogP1.75
Rot. Bonds8

About (2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid (PubChem CID 54288445) has the molecular formula C24H26N2O8 and a molecular weight of 470.48 g/mol. Its IUPAC name is (2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid
PubChem CID54288445
Molecular FormulaC24H26N2O8
Molecular Weight470.48 g/mol
Exact Mass470.17
IUPAC Name(2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)COc1cccc2c(OCC(=O)N3CCC[C@@H]3C(=O)O)cccc12
InChIInChI=1S/C24H26N2O8/c27-21(25-11-3-7-17(25)23(29)30)13-33-19-9-1-5-15-16(19)6-2-10-20(15)34-14-22(28)26-12-4-8-18(26)24(31)32/h1-2,5-6,9-10,17-18H,3-4,7-8,11-14H2,(H,29,30)(H,31,32)/t17-,18-/m1/s1
InChIKeyRVUZRAPKKUPCHB-QZTJIDSGSA-N
XLogP1.75
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
CID 12849581
4-[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butylcarbamoyl]-4-(naphthalen-1-yloxy)-butyric acid
CID 44331914
(4R)-5-[[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-naphthalen-1-yloxy-5-oxopentanoic acid
CID 44331915
(R)-1-[[3-[2-[(R)-2-Carboxy-pyrrolidin-1-yl]-2-oxo-ethoxy]-2-methyl-phenoxy]-acetyl]-pyrrolidine-2-carboxylic acid
CID 54115829
Naphthyl prolinyl ether
CID 58593933
N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide
CID 17438857
(2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922381
(2S)-2-[[(2S)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]propanoic acid
CID 139146103
(2S)-1-[(2S,5R)-5-(naphthalen-1-yloxymethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 11554448
Methyl 4-(2-fluorophenoxy)-1-(2-(naphthalen-2-yloxy)acetyl)pyrrolidine-2-carboxylate
CID 90620242
Naphthalen-1-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 101686207
3-Fluoro-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 120202444

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid (CID 54288445) is (2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)COc1cccc2c(OCC(=O)N3CCC[C@@H]3C(=O)O)cccc12.
What is the InChIKey of (2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RVUZRAPKKUPCHB-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H26N2O8/c27-21(25-11-3-7-17(25)23(29)30)13-33-19-9-1-5-15-16(19)6-2-10-20(15)34-14-22(28)26-12-4-8-18(26)24(31)32/h1-2,5-6,9-10,17-18H,3-4,7-8,11-14H2,(H,29,30)(H,31,32)/t17-,18-/m1/s1.
What are the key properties of (2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 470.48 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[5-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethoxy]naphthalen-1-yl]oxyacetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54288445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).