3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid

C16H21NO2 — CID 102786845

IUPAC3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C2CCCc3ccccc32)C1C(=O)O
InChIInChI=1S/C16H21NO2/c1-11-9-10-17(15(11)16(18)19)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,11,14-15H,4,6,8-10H2,1H3,(H,18,19)
InChIKeyVMWPXDKWIZCRKB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds2

About 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid

3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid (PubChem CID 102786845) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid
PubChem CID102786845
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C2CCCc3ccccc32)C1C(=O)O
InChIInChI=1S/C16H21NO2/c1-11-9-10-17(15(11)16(18)19)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,11,14-15H,4,6,8-10H2,1H3,(H,18,19)
InChIKeyVMWPXDKWIZCRKB-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidine-2-carboxylic acid
CID 65056165
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
CID 65072102
(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 124778185
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904120
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 134279503
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
5-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 168690355
(2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
CID 54335655
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid
CID 65069110
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid (CID 102786845) is 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid is CC1CCN(C2CCCc3ccccc32)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is VMWPXDKWIZCRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-9-10-17(15(11)16(18)19)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,11,14-15H,4,6,8-10H2,1H3,(H,18,19).
What are the key properties of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102786845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).