(3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid

C14H17NO5 — CID 67983554

IUPAC(3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(C[C@H]1NC[C@@H](C(=O)O)[C@@H]1O)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c16-12(20-8-9-4-2-1-3-5-9)6-11-13(17)10(7-15-11)14(18)19/h1-5,10-11,13,15,17H,6-8H2,(H,18,19)/t10-,11-,13+/m1/s1
InChIKeyXQUOBCXZCOTXFS-WZRBSPASSA-N
MW279.29 g/mol
LogP0.15
Rot. Bonds5

About (3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid

(3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid (PubChem CID 67983554) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid
PubChem CID67983554
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(C[C@H]1NC[C@@H](C(=O)O)[C@@H]1O)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c16-12(20-8-9-4-2-1-3-5-9)6-11-13(17)10(7-15-11)14(18)19/h1-5,10-11,13,15,17H,6-8H2,(H,18,19)/t10-,11-,13+/m1/s1
InChIKeyXQUOBCXZCOTXFS-WZRBSPASSA-N
XLogP0.15
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid (CID 67983554) is (3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid is O=C(C[C@H]1NC[C@@H](C(=O)O)[C@@H]1O)OCc1ccccc1.
What is the InChIKey of (3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XQUOBCXZCOTXFS-WZRBSPASSA-N. The full InChI is InChI=1S/C14H17NO5/c16-12(20-8-9-4-2-1-3-5-9)6-11-13(17)10(7-15-11)14(18)19/h1-5,10-11,13,15,17H,6-8H2,(H,18,19)/t10-,11-,13+/m1/s1.
What are the key properties of (3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid?
(3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-4-hydroxy-5-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 67983554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).