(2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid

C16H17NO4 — CID 89433463

IUPAC(2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@@H](OCc2cccc3ccccc23)[C@@H]1O
InChIInChI=1S/C16H17NO4/c18-15-13(8-17-14(15)16(19)20)21-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13-15,17-18H,8-9H2,(H,19,20)/t13-,14+,15+/m1/s1
InChIKeyVHPAHPCOVNXGHN-ILXRZTDVSA-N
MW287.31 g/mol
LogP1.14
Rot. Bonds4

About (2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid

(2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid (PubChem CID 89433463) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid
PubChem CID89433463
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@@H](OCc2cccc3ccccc23)[C@@H]1O
InChIInChI=1S/C16H17NO4/c18-15-13(8-17-14(15)16(19)20)21-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13-15,17-18H,8-9H2,(H,19,20)/t13-,14+,15+/m1/s1
InChIKeyVHPAHPCOVNXGHN-ILXRZTDVSA-N
XLogP1.14
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid (CID 89433463) is (2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NC[C@@H](OCc2cccc3ccccc23)[C@@H]1O.
What is the InChIKey of (2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid?
The InChIKey is VHPAHPCOVNXGHN-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H17NO4/c18-15-13(8-17-14(15)16(19)20)21-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13-15,17-18H,8-9H2,(H,19,20)/t13-,14+,15+/m1/s1.
What are the key properties of (2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid?
(2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-3-hydroxy-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 89433463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).