methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate

C23H29N3O3 — CID 3836286

IUPACmethyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate
SMILESCOC(=O)CCc1c(-c2ccc(N3CCCC3)cc2)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C23H29N3O3/c1-15-21(23(24)28)22(16-5-7-17(8-6-16)25-13-3-4-14-25)19(11-12-20(27)29-2)26(15)18-9-10-18/h5-8,18H,3-4,9-14H2,1-2H3,(H2,24,28)
InChIKeyMDOOKASDACHVLM-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.60
Rot. Bonds7

About methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate

methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate (PubChem CID 3836286) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate
PubChem CID3836286
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Namemethyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate
SMILESCOC(=O)CCc1c(-c2ccc(N3CCCC3)cc2)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C23H29N3O3/c1-15-21(23(24)28)22(16-5-7-17(8-6-16)25-13-3-4-14-25)19(11-12-20(27)29-2)26(15)18-9-10-18/h5-8,18H,3-4,9-14H2,1-2H3,(H2,24,28)
InChIKeyMDOOKASDACHVLM-UHFFFAOYSA-N
XLogP3.60
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate with MolForge

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Related Compounds

methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-1-cyclopropyl-5-methylpyrrol-2-yl]propanoate
CID 3685626
1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 3828892
methyl 3-[4-carbamoyl-3-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]propanoate
CID 3675838
methyl 3-[4-carbamoyl-5-methyl-3-(4-phenylphenyl)-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3853015
4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
CID 3812558
methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3861988
methyl 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3730856
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896
2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 4992163
methyl 3-[1-benzyl-4-carbamoyl-3-(4-methoxy-3-methylphenyl)-5-methylpyrrol-2-yl]propanoate
CID 3448433
methyl 8-oxo-8-[(2E)-2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]octanoate
CID 23976256
ethyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921268

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate?
The IUPAC name of methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate (CID 3836286) is methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate.
What is the SMILES notation for methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate?
The canonical SMILES for methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate is COC(=O)CCc1c(-c2ccc(N3CCCC3)cc2)c(C(N)=O)c(C)n1C1CC1.
What is the InChIKey of methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate?
The InChIKey is MDOOKASDACHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-21(23(24)28)22(16-5-7-17(8-6-16)25-13-3-4-14-25)19(11-12-20(27)29-2)26(15)18-9-10-18/h5-8,18H,3-4,9-14H2,1-2H3,(H2,24,28).
What are the key properties of methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate?
methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate has a molecular weight of 395.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate is sourced from PubChem (CID 3836286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).