tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione

C18H25N3O4 — CID 145219932

IUPACtert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione
SMILESCC(C)(C)OC(=O)N1CCC(N)C1.CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C9H18N2O2.C9H7NO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11;1-10-8(11)6-4-2-3-5-7(6)9(10)12/h7H,4-6,10H2,1-3H3;2-5H,1H3
InChIKeyDLODSZACOBXHLP-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.87
Rot. Bonds

About tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione

tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione (PubChem CID 145219932) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione.

Molecular Properties

Compound Nametert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione
PubChem CID145219932
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nametert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione
SMILESCC(C)(C)OC(=O)N1CCC(N)C1.CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C9H18N2O2.C9H7NO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11;1-10-8(11)6-4-2-3-5-7(6)9(10)12/h7H,4-6,10H2,1-3H3;2-5H,1H3
InChIKeyDLODSZACOBXHLP-UHFFFAOYSA-N
XLogP1.87
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-[(1,3-dioxoisoindol-2-yl)methyl]piperidine-1-carboxylate
CID 146286092
tert-butyl 4-[(1,3-dioxoisoindol-2-yl)methyl]-3-hydroxypiperidine-1-carboxylate
CID 70075562
acetylene;tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;1,2-difluorobenzene;methyl formate
CID 145013337
tert-butyl 4-[3-(1,3-dioxoisoindol-2-yl)azetidin-1-yl]piperidine-1-carboxylate
CID 166030831
tert-butyl 7-[(1,3-dioxoisoindol-2-yl)methyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 164850876
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl 3-(anilinomethyl)pyrrolidine-1-carboxylate
CID 85223002
tert-butyl 4-[[4-[3-(1,3-dioxoisoindol-2-yl)propyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 171070828
tert-butyl 4-[7-(1,3-dioxoisoindol-2-yl)heptoxy]piperidine-1-carboxylate
CID 171081497
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione?
The IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione (CID 145219932) is tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione.
What is the SMILES notation for tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione?
The canonical SMILES for tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione is CC(C)(C)OC(=O)N1CCC(N)C1.CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione?
The InChIKey is DLODSZACOBXHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C9H7NO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11;1-10-8(11)6-4-2-3-5-7(6)9(10)12/h7H,4-6,10H2,1-3H3;2-5H,1H3.
What are the key properties of tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione?
tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione has a molecular weight of 347.42 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione is sourced from PubChem (CID 145219932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).