methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate

C18H21NO5 — CID 9065473

IUPACmethyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)C[C@@H]2C=CCC2)cc1
InChIInChI=1S/C18H21NO5/c1-23-18(22)15-8-6-14(7-9-15)11-19-16(20)12-24-17(21)10-13-4-2-3-5-13/h2,4,6-9,13H,3,5,10-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyFTNSMJGMGKAUAY-CYBMUJFWSA-N
MW331.37 g/mol
LogP1.99
Rot. Bonds7

About methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate

methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate (PubChem CID 9065473) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate
PubChem CID9065473
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Namemethyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)C[C@@H]2C=CCC2)cc1
InChIInChI=1S/C18H21NO5/c1-23-18(22)15-8-6-14(7-9-15)11-19-16(20)12-24-17(21)10-13-4-2-3-5-13/h2,4,6-9,13H,3,5,10-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyFTNSMJGMGKAUAY-CYBMUJFWSA-N
XLogP1.99
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate with MolForge

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Related Compounds

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066189
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065419
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065418
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
methyl 4-[[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]methyl]benzoate
CID 8020683
methyl 4-[[[2-(4-formylbenzoyl)oxyacetyl]amino]methyl]benzoate
CID 7669974
methyl 4-[[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]methyl]benzoate
CID 8013614
methyl 4-[[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]methyl]benzoate
CID 7878196
[2-(4-chloroanilino)-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065493
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065814
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 8999622
2-[(1S)-cyclopent-2-en-1-yl]-N-[[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]acetamide
CID 52511200

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate (CID 9065473) is methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)COC(=O)C[C@@H]2C=CCC2)cc1.
What is the InChIKey of methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate?
The InChIKey is FTNSMJGMGKAUAY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO5/c1-23-18(22)15-8-6-14(7-9-15)11-19-16(20)12-24-17(21)10-13-4-2-3-5-13/h2,4,6-9,13H,3,5,10-12H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate?
methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate has a molecular weight of 331.37 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]methyl]benzoate is sourced from PubChem (CID 9065473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).