ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C24H36N2O6 — CID 40986980

IUPACethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1C
InChIInChI=1S/C24H36N2O6/c1-8-31-21(29)18-14(2)19(25-15(18)3)20(28)16(4)32-22(30)24(11-9-10-12-24)13-17(27)26-23(5,6)7/h16,25H,8-13H2,1-7H3,(H,26,27)/t16-/m1/s1
InChIKeyJWNGQCLROCCKJK-MRXNPFEDSA-N
MW448.56 g/mol
LogP3.79
Rot. Bonds8

About ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 40986980) has the molecular formula C24H36N2O6 and a molecular weight of 448.56 g/mol. Its IUPAC name is ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID40986980
Molecular FormulaC24H36N2O6
Molecular Weight448.56 g/mol
Exact Mass448.26
IUPAC Nameethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1C
InChIInChI=1S/C24H36N2O6/c1-8-31-21(29)18-14(2)19(25-15(18)3)20(28)16(4)32-22(30)24(11-9-10-12-24)13-17(27)26-23(5,6)7/h16,25H,8-13H2,1-7H3,(H,26,27)/t16-/m1/s1
InChIKeyJWNGQCLROCCKJK-MRXNPFEDSA-N
XLogP3.79
TPSA114.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[(2S)-2-(2-ethoxyacetyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8709508
4-O-[(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate
CID 7851721
ethyl 5-[(2S)-2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7238886
ethyl 5-[(2S)-2-(4-ethoxybenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8580786
ethyl 2,4-dimethyl-5-[(2R)-2-(2,4,5-trimethylfuran-3-carbonyl)oxypropanoyl]-1H-pyrrole-3-carboxylate
CID 40730605
ethyl 5-[(2S)-2-(4-methoxybenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7861994
ethyl 5-[(2S)-2-(4-aminobenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7781166
2-O-[2-(tert-butylamino)-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8508633
ethyl 2,4-dimethyl-5-[(2S)-2-(5-methylthiophene-2-carbonyl)oxypropanoyl]-1H-pyrrole-3-carboxylate
CID 7837938
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium
CID 8767745
ethyl 2,4-dimethyl-5-(2-pyrrolidin-1-ylpropanoyl)-1H-pyrrole-3-carboxylate
CID 4877832
ethyl 5-[(2S)-2-cyclopentylsulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7398228

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 40986980) is ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1C.
What is the InChIKey of ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is JWNGQCLROCCKJK-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H36N2O6/c1-8-31-21(29)18-14(2)19(25-15(18)3)20(28)16(4)32-22(30)24(11-9-10-12-24)13-17(27)26-23(5,6)7/h16,25H,8-13H2,1-7H3,(H,26,27)/t16-/m1/s1.
What are the key properties of ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 448.56 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2R)-2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentanecarbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 40986980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).