3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid

C17H23NO2 — CID 117436278

IUPAC3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid
SMILESCC(C)N1Cc2ccc(C(CC(=O)O)C3CC3)cc2C1
InChIInChI=1S/C17H23NO2/c1-11(2)18-9-14-6-5-13(7-15(14)10-18)16(8-17(19)20)12-3-4-12/h5-7,11-12,16H,3-4,8-10H2,1-2H3,(H,19,20)
InChIKeyVQDXSBPTAUKDAH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.38
Rot. Bonds5

About 3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid

3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid (PubChem CID 117436278) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid
PubChem CID117436278
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid
SMILESCC(C)N1Cc2ccc(C(CC(=O)O)C3CC3)cc2C1
InChIInChI=1S/C17H23NO2/c1-11(2)18-9-14-6-5-13(7-15(14)10-18)16(8-17(19)20)12-3-4-12/h5-7,11-12,16H,3-4,8-10H2,1-2H3,(H,19,20)
InChIKeyVQDXSBPTAUKDAH-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117431438
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CID 82124052
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
CID 82124113
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
CID 117379319
3-cyclopropyl-3-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)propanoic acid
CID 117410987
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 117383662
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid (CID 117436278) is 3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid is CC(C)N1Cc2ccc(C(CC(=O)O)C3CC3)cc2C1.
What is the InChIKey of 3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid?
The InChIKey is VQDXSBPTAUKDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)18-9-14-6-5-13(7-15(14)10-18)16(8-17(19)20)12-3-4-12/h5-7,11-12,16H,3-4,8-10H2,1-2H3,(H,19,20).
What are the key properties of 3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid?
3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid has a molecular weight of 273.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid is sourced from PubChem (CID 117436278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).