1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid

C18H21NO4 — CID 110182844

IUPAC1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC(O)COc1cccc2ccccc12
InChIInChI=1S/C18H21NO4/c20-14(11-19-10-4-8-16(19)18(21)22)12-23-17-9-3-6-13-5-1-2-7-15(13)17/h1-3,5-7,9,14,16,20H,4,8,10-12H2,(H,21,22)
InChIKeyZNBCLUJASAIEAI-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.13
Rot. Bonds6

About 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid

1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid (PubChem CID 110182844) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid
PubChem CID110182844
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC(O)COc1cccc2ccccc12
InChIInChI=1S/C18H21NO4/c20-14(11-19-10-4-8-16(19)18(21)22)12-23-17-9-3-6-13-5-1-2-7-15(13)17/h1-3,5-7,9,14,16,20H,4,8,10-12H2,(H,21,22)
InChIKeyZNBCLUJASAIEAI-UHFFFAOYSA-N
XLogP2.13
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 111103265
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
CID 18081673
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium-2-carboxylic acid
CID 110182843
(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 100856123
2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 154842290
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
1-cyclopentyl-2-naphthalen-1-yloxyethanol
CID 104753513
ethyl 4-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperazine-1-carboxylate
CID 27646446
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
1-naphthalen-1-yloxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 46798078
(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid (CID 110182844) is 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZNBCLUJASAIEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c20-14(11-19-10-4-8-16(19)18(21)22)12-23-17-9-3-6-13-5-1-2-7-15(13)17/h1-3,5-7,9,14,16,20H,4,8,10-12H2,(H,21,22).
What are the key properties of 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid?
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 110182844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).