ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate

C17H27N3O5 — CID 59375995

IUPACethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)c[nH]c1CC(=O)NC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C17H27N3O5/c1-3-25-17(23)16-12(2)9-18-14(16)8-15(22)19-10-13(21)11-20-4-6-24-7-5-20/h9,13,18,21H,3-8,10-11H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyZZMXIJQIHQWPPM-CYBMUJFWSA-N
MW353.42 g/mol
LogP-0.15
Rot. Bonds8

About ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate

ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 59375995) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID59375995
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Nameethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)c[nH]c1CC(=O)NC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C17H27N3O5/c1-3-25-17(23)16-12(2)9-18-14(16)8-15(22)19-10-13(21)11-20-4-6-24-7-5-20/h9,13,18,21H,3-8,10-11H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyZZMXIJQIHQWPPM-CYBMUJFWSA-N
XLogP-0.15
TPSA103.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

N-(2-hydroxy-3-morpholin-4-ylpropyl)pentanamide
CID 110887202
ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen
CID 171658230
3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide
CID 110882806
ethyl 5-formyl-4-methyl-2-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1H-pyrrole-3-carboxylate
CID 143553269
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
ethyl 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetate
CID 60681827
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
CID 141060612
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropyl)-1,5,7-trimethyl-4-oxophthalazine-6-carboxylate
CID 15075899
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide
CID 110887574

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate (CID 59375995) is ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)c[nH]c1CC(=O)NC[C@@H](O)CN1CCOCC1.
What is the InChIKey of ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is ZZMXIJQIHQWPPM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-3-25-17(23)16-12(2)9-18-14(16)8-15(22)19-10-13(21)11-20-4-6-24-7-5-20/h9,13,18,21H,3-8,10-11H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 353.42 g/mol, XLogP of -0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 59375995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).