(2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid

C20H24N2O6 — CID 54264270

IUPAC(2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C20H24N2O6/c23-17(21-9-1-3-15(21)19(25)26)11-13-5-7-14(8-6-13)12-18(24)22-10-2-4-16(22)20(27)28/h5-8,15-16H,1-4,9-12H2,(H,25,26)(H,27,28)/t15-,16-/m1/s1
InChIKeyRFQSBZVDGWODLX-HZPDHXFCSA-N
MW388.42 g/mol
LogP0.92
Rot. Bonds6

About (2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 54264270) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID54264270
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name(2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C20H24N2O6/c23-17(21-9-1-3-15(21)19(25)26)11-13-5-7-14(8-6-13)12-18(24)22-10-2-4-16(22)20(27)28/h5-8,15-16H,1-4,9-12H2,(H,25,26)(H,27,28)/t15-,16-/m1/s1
InChIKeyRFQSBZVDGWODLX-HZPDHXFCSA-N
XLogP0.92
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid (CID 54264270) is (2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RFQSBZVDGWODLX-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H24N2O6/c23-17(21-9-1-3-15(21)19(25)26)11-13-5-7-14(8-6-13)12-18(24)22-10-2-4-16(22)20(27)28/h5-8,15-16H,1-4,9-12H2,(H,25,26)(H,27,28)/t15-,16-/m1/s1.
What are the key properties of (2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[4-[2-[(2R)-2-carboxypyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54264270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).