3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C13H20N2O3 — CID 65180401

IUPAC3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCCOCCCOC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H20N2O3/c1-2-17-6-3-7-18-13(16)12-8-10(14)9-15(12)11-4-5-11/h8-9,11H,2-7,14H2,1H3
InChIKeyWMLPOHYWHYHUJI-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.99
Rot. Bonds7

About 3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 65180401) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Name3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID65180401
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCCOCCCOC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H20N2O3/c1-2-17-6-3-7-18-13(16)12-8-10(14)9-15(12)11-4-5-11/h8-9,11H,2-7,14H2,1H3
InChIKeyWMLPOHYWHYHUJI-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61309416
ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65366812
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114526441
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
(5-cyano-5-methylhexyl) 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 106713730
2-methylbutyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62104592
(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 103137013
2-phenylsulfanylethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 79228438
benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308860
(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 107052158
ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61115168

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of 3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 65180401) is 3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for 3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for 3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is CCOCCCOC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is WMLPOHYWHYHUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-17-6-3-7-18-13(16)12-8-10(14)9-15(12)11-4-5-11/h8-9,11H,2-7,14H2,1H3.
What are the key properties of 3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 65180401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).