(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate

C10H14N2O4 — CID 61322501

IUPAC(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)COC(=O)c1cc(N)cn1C
InChIInChI=1S/C10H14N2O4/c1-3-15-9(13)6-16-10(14)8-4-7(11)5-12(8)2/h4-5H,3,6,11H2,1-2H3
InChIKeyZJDCKRKVIOXBLJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.33
Rot. Bonds4

About (2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate

(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 61322501) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID61322501
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)COC(=O)c1cc(N)cn1C
InChIInChI=1S/C10H14N2O4/c1-3-15-9(13)6-16-10(14)8-4-7(11)5-12(8)2/h4-5H,3,6,11H2,1-2H3
InChIKeyZJDCKRKVIOXBLJ-UHFFFAOYSA-N
XLogP0.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
decyl 4-amino-1-methylpyrrole-2-carboxylate
CID 63450419
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686
2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322678
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 55003688
(3-methoxy-2,2-dimethyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 79620796
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61323059
tert-butyl 4-amino-1-methylpyrrole-2-carboxylate
CID 45089376
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 61108695
(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 112651180
pentan-2-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 102983089
(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 103036381

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate (CID 61322501) is (2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate is CCOC(=O)COC(=O)c1cc(N)cn1C.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is ZJDCKRKVIOXBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-15-9(13)6-16-10(14)8-4-7(11)5-12(8)2/h4-5H,3,6,11H2,1-2H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate?
(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 61322501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).