4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid

C16H17NO3 — CID 114351359

IUPAC4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1cccc2ccccc12
InChIInChI=1S/C16H17NO3/c18-13-8-15(16(19)20)17(10-13)9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13,15,18H,8-10H2,(H,19,20)
InChIKeyWYIXCWGMQBPOGB-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.86
Rot. Bonds3

About 4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 114351359) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID114351359
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1cccc2ccccc12
InChIInChI=1S/C16H17NO3/c18-13-8-15(16(19)20)17(10-13)9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13,15,18H,8-10H2,(H,19,20)
InChIKeyWYIXCWGMQBPOGB-UHFFFAOYSA-N
XLogP1.86
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351656
(3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 117059652
1-[[2-(difluoromethoxy)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351798
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 114351745
1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351327
1-[(2-cyano-3-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351750
1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351539
4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351775
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351698
4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 14472500
(2R,4R)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 86731621

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid (CID 114351359) is 4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1Cc1cccc2ccccc12.
What is the InChIKey of 4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WYIXCWGMQBPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-13-8-15(16(19)20)17(10-13)9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13,15,18H,8-10H2,(H,19,20).
What are the key properties of 4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).