ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C11H16N2O3 — CID 65366812

IUPACethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCCOCOC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C11H16N2O3/c1-2-15-7-16-11(14)10-5-8(12)6-13(10)9-3-4-9/h5-6,9H,2-4,7,12H2,1H3
InChIKeyXBCITMOPGLAIQP-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.56
Rot. Bonds5

About ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 65366812) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID65366812
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCCOCOC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C11H16N2O3/c1-2-15-7-16-11(14)10-5-8(12)6-13(10)9-3-4-9/h5-6,9H,2-4,7,12H2,1H3
InChIKeyXBCITMOPGLAIQP-UHFFFAOYSA-N
XLogP1.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65180401
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
2-methylbutyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62104592
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
3-methoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61309416
3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114526441
benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308860
(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 82876097
(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 103137013
(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 107052158
4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 103100900
ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61115168

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 65366812) is ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is CCOCOC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is XBCITMOPGLAIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-15-7-16-11(14)10-5-8(12)6-13(10)9-3-4-9/h5-6,9H,2-4,7,12H2,1H3.
What are the key properties of ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 65366812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).