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

C17H22N2O3 — CID 122008246

IUPAC1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCc2ccccc2C1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C17H22N2O3/c1-11-6-7-12-4-2-3-5-14(12)15(11)18-17(22)19-9-8-13(10-19)16(20)21/h2-5,11,13,15H,6-10H2,1H3,(H,18,22)(H,20,21)
InChIKeyRYFVAIXCPIPHJP-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.43
Rot. Bonds2

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

1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122008246) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122008246
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCc2ccccc2C1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C17H22N2O3/c1-11-6-7-12-4-2-3-5-14(12)15(11)18-17(22)19-9-8-13(10-19)16(20)21/h2-5,11,13,15H,6-10H2,1H3,(H,18,22)(H,20,21)
InChIKeyRYFVAIXCPIPHJP-UHFFFAOYSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
CID 120822635
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015654
(2R)-2-amino-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120873780
4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 99855136
2-[3-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzoic acid
CID 120550949
4-[(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]cyclohexane-1-carboxylic acid
CID 122032898
3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11232317
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide
CID 97094911
1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004000

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122008246) is 1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1CCc2ccccc2C1NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RYFVAIXCPIPHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-6-7-12-4-2-3-5-14(12)15(11)18-17(22)19-9-8-13(10-19)16(20)21/h2-5,11,13,15H,6-10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122008246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).