methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

C18H27N3O4 — CID 95337548

IUPACmethyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(C)c1C(=O)OC
InChIInChI=1S/C18H27N3O4/c1-4-14-15(18(23)24-3)11(2)16(20-14)17(22)19-9-13-10-21(7-8-25-13)12-5-6-12/h12-13,20H,4-10H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyZYESZBCZOYWFRE-ZDUSSCGKSA-N
MW349.43 g/mol
LogP1.27
Rot. Bonds6

About methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 95337548) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID95337548
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Namemethyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(C)c1C(=O)OC
InChIInChI=1S/C18H27N3O4/c1-4-14-15(18(23)24-3)11(2)16(20-14)17(22)19-9-13-10-21(7-8-25-13)12-5-6-12/h12-13,20H,4-10H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyZYESZBCZOYWFRE-ZDUSSCGKSA-N
XLogP1.27
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 47123246
methyl 5-acetyl-4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1H-pyrrole-3-carboxylate
CID 94819837
methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 51909679
methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 51207851
2-amino-N-[(4-cyclopropylmorpholin-2-yl)methyl]-5-methyl-3-nitrobenzamide
CID 102557689
methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 31284498
methyl 5-[[(R)-cyano-[(3R)-oxolan-3-yl]methyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 94824534
methyl 5-[[(S)-cyano-[(3R)-oxolan-3-yl]methyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 94824535
1-cyclopropyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]methanamine
CID 95979352
methyl 5-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 46559038
3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea
CID 99831235
methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 36679757

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (CID 95337548) is methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is ZYESZBCZOYWFRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-14-15(18(23)24-3)11(2)16(20-14)17(22)19-9-13-10-21(7-8-25-13)12-5-6-12/h12-13,20H,4-10H2,1-3H3,(H,19,22)/t13-/m0/s1.
What are the key properties of methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2S)-4-cyclopropylmorpholin-2-yl]methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 95337548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).