(2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid

C16H15NO5 — CID 90480170

IUPAC(2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid
SMILESO=C(O)c1c(O[C@H]2CN[C@H](C(=O)O)C2)ccc2ccccc12
InChIInChI=1S/C16H15NO5/c18-15(19)12-7-10(8-17-12)22-13-6-5-9-3-1-2-4-11(9)14(13)16(20)21/h1-6,10,12,17H,7-8H2,(H,18,19)(H,20,21)/t10-,12+/m1/s1
InChIKeyDXJCGZZEMBNXTB-PWSUYJOCSA-N
MW301.30 g/mol
LogP1.73
Rot. Bonds4

About (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid

(2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid (PubChem CID 90480170) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid
PubChem CID90480170
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name(2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid
SMILESO=C(O)c1c(O[C@H]2CN[C@H](C(=O)O)C2)ccc2ccccc12
InChIInChI=1S/C16H15NO5/c18-15(19)12-7-10(8-17-12)22-13-6-5-9-3-1-2-4-11(9)14(13)16(20)21/h1-6,10,12,17H,7-8H2,(H,18,19)(H,20,21)/t10-,12+/m1/s1
InChIKeyDXJCGZZEMBNXTB-PWSUYJOCSA-N
XLogP1.73
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid (CID 90480170) is (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid is O=C(O)c1c(O[C@H]2CN[C@H](C(=O)O)C2)ccc2ccccc12.
What is the InChIKey of (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid?
The InChIKey is DXJCGZZEMBNXTB-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H15NO5/c18-15(19)12-7-10(8-17-12)22-13-6-5-9-3-1-2-4-11(9)14(13)16(20)21/h1-6,10,12,17H,7-8H2,(H,18,19)(H,20,21)/t10-,12+/m1/s1.
What are the key properties of (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid?
(2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90480170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).