2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid

C16H19NO2 — CID 117396653

IUPAC2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc3c(c2)CN(C2CC2)C3)CC1
InChIInChI=1S/C16H19NO2/c18-15(19)8-16(5-6-16)13-2-1-11-9-17(14-3-4-14)10-12(11)7-13/h1-2,7,14H,3-6,8-10H2,(H,18,19)
InChIKeyHALBGXOLOBFSHV-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.67
Rot. Bonds4

About 2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid

2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid (PubChem CID 117396653) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid
PubChem CID117396653
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc3c(c2)CN(C2CC2)C3)CC1
InChIInChI=1S/C16H19NO2/c18-15(19)8-16(5-6-16)13-2-1-11-9-17(14-3-4-14)10-12(11)7-13/h1-2,7,14H,3-6,8-10H2,(H,18,19)
InChIKeyHALBGXOLOBFSHV-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid
CID 84795332
2-[1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropyl]acetic acid
CID 117374323
3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)-3-methylbutanoic acid
CID 117402376
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117431438
2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid
CID 117374320
2-[1-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropyl]acetic acid
CID 117404420
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459292
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527
3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110461021
2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid
CID 84785166

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid (CID 117396653) is 2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid is O=C(O)CC1(c2ccc3c(c2)CN(C2CC2)C3)CC1.
What is the InChIKey of 2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid?
The InChIKey is HALBGXOLOBFSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15(19)8-16(5-6-16)13-2-1-11-9-17(14-3-4-14)10-12(11)7-13/h1-2,7,14H,3-6,8-10H2,(H,18,19).
What are the key properties of 2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid?
2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117396653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).