[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

C18H24N2O6 — CID 8574391

IUPAC[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N[C@H](C)C2CC2)c1
InChIInChI=1S/C18H24N2O6/c1-11(12-4-5-12)20-16(21)10-26-17(22)9-19-18(23)13-6-14(24-2)8-15(7-13)25-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,19,23)(H,20,21)/t11-/m1/s1
InChIKeyYIJOTQQYUDPPJV-LLVKDONJSA-N
MW364.40 g/mol
LogP0.89
Rot. Bonds9

About [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 8574391) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID8574391
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N[C@H](C)C2CC2)c1
InChIInChI=1S/C18H24N2O6/c1-11(12-4-5-12)20-16(21)10-26-17(22)9-19-18(23)13-6-14(24-2)8-15(7-13)25-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,19,23)(H,20,21)/t11-/m1/s1
InChIKeyYIJOTQQYUDPPJV-LLVKDONJSA-N
XLogP0.89
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884502
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881991
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2116305
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884221
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899328
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899329
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018333
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018334
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884053
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7626424

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 8574391) is [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N[C@H](C)C2CC2)c1.
What is the InChIKey of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is YIJOTQQYUDPPJV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-11(12-4-5-12)20-16(21)10-26-17(22)9-19-18(23)13-6-14(24-2)8-15(7-13)25-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,19,23)(H,20,21)/t11-/m1/s1.
What are the key properties of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 364.40 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 8574391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).