1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid

C16H20N2O3 — CID 107068936

IUPAC1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccc3c(c2)CNC3)C1C(=O)O
InChIInChI=1S/C16H20N2O3/c1-10-3-2-6-18(14(10)16(20)21)15(19)11-4-5-12-8-17-9-13(12)7-11/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3,(H,20,21)
InChIKeyOFXISJUNMKRMPR-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.62
Rot. Bonds2

About 1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid

1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107068936) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107068936
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccc3c(c2)CNC3)C1C(=O)O
InChIInChI=1S/C16H20N2O3/c1-10-3-2-6-18(14(10)16(20)21)15(19)11-4-5-12-8-17-9-13(12)7-11/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3,(H,20,21)
InChIKeyOFXISJUNMKRMPR-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indene-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775363
1-(3,4-dichlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069840
1-[4-(aminomethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068830
3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775453
1-(2,3-dihydro-1H-isoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 115867074
1-(3-amino-4-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780395
2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103998485
1-(3-bromo-5-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107938401
2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
CID 103998035
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 114678333
3-methyl-1-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 102775649
1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069786

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid (CID 107068936) is 1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)c2ccc3c(c2)CNC3)C1C(=O)O.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is OFXISJUNMKRMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-3-2-6-18(14(10)16(20)21)15(19)11-4-5-12-8-17-9-13(12)7-11/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3,(H,20,21).
What are the key properties of 1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid?
1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107068936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).