ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate

C12H20N2O3 — CID 67068506

IUPACethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]ccc1NCC(C)(C)OC
InChIInChI=1S/C12H20N2O3/c1-5-17-11(15)10-9(6-7-13-10)14-8-12(2,3)16-4/h6-7,13-14H,5,8H2,1-4H3
InChIKeyUGGYVURIEAATAN-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.03
Rot. Bonds6

About ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate

ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate (PubChem CID 67068506) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate
PubChem CID67068506
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]ccc1NCC(C)(C)OC
InChIInChI=1S/C12H20N2O3/c1-5-17-11(15)10-9(6-7-13-10)14-8-12(2,3)16-4/h6-7,13-14H,5,8H2,1-4H3
InChIKeyUGGYVURIEAATAN-UHFFFAOYSA-N
XLogP2.03
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate (CID 67068506) is ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]ccc1NCC(C)(C)OC.
What is the InChIKey of ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate?
The InChIKey is UGGYVURIEAATAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-17-11(15)10-9(6-7-13-10)14-8-12(2,3)16-4/h6-7,13-14H,5,8H2,1-4H3.
What are the key properties of ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate?
ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 67068506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).