(5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate

C15H18N2O4 — CID 69031082

IUPAC(5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate
SMILESCOC(=O)C1CC(OC(=O)N2Cc3ccccc3C2)CN1
InChIInChI=1S/C15H18N2O4/c1-20-14(18)13-6-12(7-16-13)21-15(19)17-8-10-4-2-3-5-11(10)9-17/h2-5,12-13,16H,6-9H2,1H3
InChIKeyWCPZYJKYUYYJAU-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.04
Rot. Bonds2

About (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate

(5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate (PubChem CID 69031082) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate
PubChem CID69031082
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate
SMILESCOC(=O)C1CC(OC(=O)N2Cc3ccccc3C2)CN1
InChIInChI=1S/C15H18N2O4/c1-20-14(18)13-6-12(7-16-13)21-15(19)17-8-10-4-2-3-5-11(10)9-17/h2-5,12-13,16H,6-9H2,1H3
InChIKeyWCPZYJKYUYYJAU-UHFFFAOYSA-N
XLogP1.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,5S)-5-methoxycarbonylpyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-methoxycarbonyl-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;hydrochloride
CID 159422394
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
[(3S,5S)-5-methoxycarbonylpyrrolidin-3-yl] pyridine-4-carboxylate
CID 56829435
methyl (2S,4S)-4-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine-2-carboxylate
CID 56831325
methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate
CID 24902885
methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride
CID 53410499
methyl (2S,4S)-4-(2-tert-butylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 56831459
methyl (2R,4R)-4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 98006342
methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate
CID 53410400
methyl (2S)-4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 45075597
methyl (2S,4S)-4-(2-phenylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 66523902
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate?
The IUPAC name of (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate (CID 69031082) is (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate.
What is the SMILES notation for (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate?
The canonical SMILES for (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate is COC(=O)C1CC(OC(=O)N2Cc3ccccc3C2)CN1.
What is the InChIKey of (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate?
The InChIKey is WCPZYJKYUYYJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-14(18)13-6-12(7-16-13)21-15(19)17-8-10-4-2-3-5-11(10)9-17/h2-5,12-13,16H,6-9H2,1H3.
What are the key properties of (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate?
(5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylpyrrolidin-3-yl) 1,3-dihydroisoindole-2-carboxylate is sourced from PubChem (CID 69031082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).