ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

C23H28N2O5 — CID 93140002

IUPACethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccc(OC)c2)C2CC2)c1C
InChIInChI=1S/C23H28N2O5/c1-6-30-23(28)20-13(2)19(14(3)24-20)21(26)15(4)25(17-10-11-17)22(27)16-8-7-9-18(12-16)29-5/h7-9,12,15,17,24H,6,10-11H2,1-5H3/t15-/m1/s1
InChIKeyFSOGMDYYGSPNBI-OAHLLOKOSA-N
MW412.49 g/mol
LogP3.69
Rot. Bonds8

About ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 93140002) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID93140002
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Nameethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccc(OC)c2)C2CC2)c1C
InChIInChI=1S/C23H28N2O5/c1-6-30-23(28)20-13(2)19(14(3)24-20)21(26)15(4)25(17-10-11-17)22(27)16-8-7-9-18(12-16)29-5/h7-9,12,15,17,24H,6,10-11H2,1-5H3/t15-/m1/s1
InChIKeyFSOGMDYYGSPNBI-OAHLLOKOSA-N
XLogP3.69
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42672510
ethyl 4-[(2S)-2-[furan-2-ylmethyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93141817
methyl 4-[(2S)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 93145489
ethyl 4-[2-[2-[(3-methoxybenzoyl)amino]acetyl]oxyacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 41448128
methyl 4-[(2S)-2-[(4-chlorobenzoyl)-cyclohexylamino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93141992
ethyl 4-[2-[(4-methoxybenzoyl)-(3-methoxypropyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674413
ethyl 4-[2-[(4-fluorophenyl)methyl-(4-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674433
2-O-ethyl 4-O-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278697
ethyl 4-[2-[cyclobutanecarbonyl(methyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674495
ethyl 5-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51206692
ethyl 4-[2-[cyclopropanecarbonyl(propan-2-yl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42800474
ethyl 3,5-dimethyl-4-[2-[methyl(thiophene-2-carbonyl)amino]propanoyl]-1H-pyrrole-2-carboxylate
CID 42674496

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 93140002) is ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccc(OC)c2)C2CC2)c1C.
What is the InChIKey of ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is FSOGMDYYGSPNBI-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-6-30-23(28)20-13(2)19(14(3)24-20)21(26)15(4)25(17-10-11-17)22(27)16-8-7-9-18(12-16)29-5/h7-9,12,15,17,24H,6,10-11H2,1-5H3/t15-/m1/s1.
What are the key properties of ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 412.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 93140002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).