8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid

C16H15NO4 — CID 107214240

IUPAC8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(C(=O)N3CC[C@@H](O)C3)c12
InChIInChI=1S/C16H15NO4/c18-11-7-8-17(9-11)15(19)12-5-1-3-10-4-2-6-13(14(10)12)16(20)21/h1-6,11,18H,7-9H2,(H,20,21)/t11-/m1/s1
InChIKeyOWQWGTPDPXSUJD-LLVKDONJSA-N
MW285.30 g/mol
LogP1.74
Rot. Bonds2

About 8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid

8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid (PubChem CID 107214240) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid
PubChem CID107214240
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(C(=O)N3CC[C@@H](O)C3)c12
InChIInChI=1S/C16H15NO4/c18-11-7-8-17(9-11)15(19)12-5-1-3-10-4-2-6-13(14(10)12)16(20)21/h1-6,11,18H,7-9H2,(H,20,21)/t11-/m1/s1
InChIKeyOWQWGTPDPXSUJD-LLVKDONJSA-N
XLogP1.74
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16773543
8-(azepane-1-carbonyl)naphthalene-1-carboxylic acid
CID 16776667
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55211972
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 20772795
(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
(3-hydroxypyrrolidin-1-yl)-(2-methyl-3-nitrophenyl)methanone
CID 62918267

Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid?
The IUPAC name of 8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid (CID 107214240) is 8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid is O=C(O)c1cccc2cccc(C(=O)N3CC[C@@H](O)C3)c12.
What is the InChIKey of 8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid?
The InChIKey is OWQWGTPDPXSUJD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15NO4/c18-11-7-8-17(9-11)15(19)12-5-1-3-10-4-2-6-13(14(10)12)16(20)21/h1-6,11,18H,7-9H2,(H,20,21)/t11-/m1/s1.
What are the key properties of 8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid?
8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 107214240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).