ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate

C12H21N5O2 — CID 175503020

IUPACethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate
SMILESCCOC(=O)c1nc(NC2CC(N)CN2C)cn1C
InChIInChI=1S/C12H21N5O2/c1-4-19-12(18)11-15-9(7-17(11)3)14-10-5-8(13)6-16(10)2/h7-8,10,14H,4-6,13H2,1-3H3
InChIKeyYTNCTPWVVUZOHK-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.00
Rot. Bonds4

About ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate

ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate (PubChem CID 175503020) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate
PubChem CID175503020
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Nameethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate
SMILESCCOC(=O)c1nc(NC2CC(N)CN2C)cn1C
InChIInChI=1S/C12H21N5O2/c1-4-19-12(18)11-15-9(7-17(11)3)14-10-5-8(13)6-16(10)2/h7-8,10,14H,4-6,13H2,1-3H3
InChIKeyYTNCTPWVVUZOHK-UHFFFAOYSA-N
XLogP-0.00
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate?
The IUPAC name of ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate (CID 175503020) is ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate?
The canonical SMILES for ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate is CCOC(=O)c1nc(NC2CC(N)CN2C)cn1C.
What is the InChIKey of ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate?
The InChIKey is YTNCTPWVVUZOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-19-12(18)11-15-9(7-17(11)3)14-10-5-8(13)6-16(10)2/h7-8,10,14H,4-6,13H2,1-3H3.
What are the key properties of ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate?
ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate has a molecular weight of 267.33 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-amino-1-methylpyrrolidin-2-yl)amino]-1-methylimidazole-2-carboxylate is sourced from PubChem (CID 175503020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).