methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate

C20H23N3O7 — CID 56580852

IUPACmethyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)CNC(=O)C1c2ccccc2C(=O)N1C1CC1
InChIInChI=1S/C20H23N3O7/c1-29-16(25)10-22(11-17(26)30-2)15(24)9-21-19(27)18-13-5-3-4-6-14(13)20(28)23(18)12-7-8-12/h3-6,12,18H,7-11H2,1-2H3,(H,21,27)
InChIKeyLFKCWMAGOHZKDY-UHFFFAOYSA-N
MW417.42 g/mol
LogP-0.36
Rot. Bonds8

About methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 56580852) has the molecular formula C20H23N3O7 and a molecular weight of 417.42 g/mol. Its IUPAC name is methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID56580852
Molecular FormulaC20H23N3O7
Molecular Weight417.42 g/mol
Exact Mass417.15
IUPAC Namemethyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)CNC(=O)C1c2ccccc2C(=O)N1C1CC1
InChIInChI=1S/C20H23N3O7/c1-29-16(25)10-22(11-17(26)30-2)15(24)9-21-19(27)18-13-5-3-4-6-14(13)20(28)23(18)12-7-8-12/h3-6,12,18H,7-11H2,1-2H3,(H,21,27)
InChIKeyLFKCWMAGOHZKDY-UHFFFAOYSA-N
XLogP-0.36
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

benzyl 2-[[(1S)-2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl]amino]acetate
CID 94828218
2-cyclopropyl-N-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 47801589
(1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide
CID 98786675
2-cyclopropyl-N-[2-[(5-methylthiophen-2-yl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 47844161
(1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide
CID 95348486
2-cyclopropyl-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 120948407
2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
CID 10808642
2-cyclopropyl-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide;hydrochloride
CID 120948406
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
2-cyclopentyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4644788
N-butan-2-yl-2-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide
CID 4279148

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate (CID 56580852) is methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)CNC(=O)C1c2ccccc2C(=O)N1C1CC1.
What is the InChIKey of methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is LFKCWMAGOHZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7/c1-29-16(25)10-22(11-17(26)30-2)15(24)9-21-19(27)18-13-5-3-4-6-14(13)20(28)23(18)12-7-8-12/h3-6,12,18H,7-11H2,1-2H3,(H,21,27).
What are the key properties of methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 417.42 g/mol, XLogP of -0.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 56580852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).