2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate

C13H21N3O2 — CID 107913367

IUPAC2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCCN1CCCC1
InChIInChI=1S/C13H21N3O2/c1-2-16-10-11(14)9-12(16)13(17)18-8-7-15-5-3-4-6-15/h9-10H,2-8,14H2,1H3
InChIKeyHGJOZEOMHRKZSW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.34
Rot. Bonds5

About 2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate

2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 107913367) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID107913367
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCCN1CCCC1
InChIInChI=1S/C13H21N3O2/c1-2-16-10-11(14)9-12(16)13(17)18-8-7-15-5-3-4-6-15/h9-10H,2-8,14H2,1H3
InChIKeyHGJOZEOMHRKZSW-UHFFFAOYSA-N
XLogP1.34
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

nonyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 63450638
6-hydroxyhexyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107706189
4-methylpentyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61310258
[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate
CID 62326291
3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61494361
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314905
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
2-(4-methylpiperazin-1-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 82888463
(1-methyltriazol-4-yl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107052153
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
[2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315096

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate (CID 107913367) is 2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate is CCn1cc(N)cc1C(=O)OCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is HGJOZEOMHRKZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-16-10-11(14)9-12(16)13(17)18-8-7-15-5-3-4-6-15/h9-10H,2-8,14H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate?
2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 107913367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).