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

C17H21NO2 — CID 117431438

IUPAC3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid
SMILESO=C(O)CC(c1ccc2c(c1)CN(C1CC1)C2)C1CC1
InChIInChI=1S/C17H21NO2/c19-17(20)8-16(11-1-2-11)12-3-4-13-9-18(15-5-6-15)10-14(13)7-12/h3-4,7,11,15-16H,1-2,5-6,8-10H2,(H,19,20)
InChIKeyDDINRPUVTHNUPK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.13
Rot. Bonds5

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

3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid (PubChem CID 117431438) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid
PubChem CID117431438
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid
SMILESO=C(O)CC(c1ccc2c(c1)CN(C1CC1)C2)C1CC1
InChIInChI=1S/C17H21NO2/c19-17(20)8-16(11-1-2-11)12-3-4-13-9-18(15-5-6-15)10-14(13)7-12/h3-4,7,11,15-16H,1-2,5-6,8-10H2,(H,19,20)
InChIKeyDDINRPUVTHNUPK-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117436278
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3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
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CID 117410987
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
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(3S)-3-(3-amino-4-chlorophenyl)-3-cyclopropylpropanoic acid;hydrochloride
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CID 117389246

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid (CID 117431438) is 3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid is O=C(O)CC(c1ccc2c(c1)CN(C1CC1)C2)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid?
The InChIKey is DDINRPUVTHNUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(20)8-16(11-1-2-11)12-3-4-13-9-18(15-5-6-15)10-14(13)7-12/h3-4,7,11,15-16H,1-2,5-6,8-10H2,(H,19,20).
What are the key properties of 3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid?
3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 3.13, 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-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid is sourced from PubChem (CID 117431438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).