4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid

C15H22N2O2 — CID 64705520

IUPAC4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)N1Cc2ccccc2C1)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-11(8-15(2,16-3)14(18)19)17-9-12-6-4-5-7-13(12)10-17/h4-7,11,16H,8-10H2,1-3H3,(H,18,19)
InChIKeyNPLIFLQAIQOCAU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.84
Rot. Bonds5

About 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid

4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64705520) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64705520
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)N1Cc2ccccc2C1)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-11(8-15(2,16-3)14(18)19)17-9-12-6-4-5-7-13(12)10-17/h4-7,11,16H,8-10H2,1-3H3,(H,18,19)
InChIKeyNPLIFLQAIQOCAU-UHFFFAOYSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid (CID 64705520) is 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CC(C)N1Cc2ccccc2C1)C(=O)O.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is NPLIFLQAIQOCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(8-15(2,16-3)14(18)19)17-9-12-6-4-5-7-13(12)10-17/h4-7,11,16H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid?
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64705520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).