[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate

C11H17N3O3 — CID 62326291

IUPAC[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCCC(=O)NC
InChIInChI=1S/C11H17N3O3/c1-3-14-7-8(12)6-9(14)11(16)17-5-4-10(15)13-2/h6-7H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyJJZRQQAZBBRQDO-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.38
Rot. Bonds5

About [3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate

[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 62326291) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is [3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID62326291
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCCC(=O)NC
InChIInChI=1S/C11H17N3O3/c1-3-14-7-8(12)6-9(14)11(16)17-5-4-10(15)13-2/h6-7H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyJJZRQQAZBBRQDO-UHFFFAOYSA-N
XLogP0.38
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylpentyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61310258
nonyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 63450638
6-hydroxyhexyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107706189
[2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315096
2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107913367
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
3-(2,2,2-trifluoroethoxy)propyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61491739
[3-oxo-3-(propan-2-ylamino)propyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62626979
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314717
(1-methyltriazol-4-yl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107052153
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of [3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate (CID 62326291) is [3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for [3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for [3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate is CCn1cc(N)cc1C(=O)OCCC(=O)NC.
What is the InChIKey of [3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is JJZRQQAZBBRQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-14-7-8(12)6-9(14)11(16)17-5-4-10(15)13-2/h6-7H,3-5,12H2,1-2H3,(H,13,15).
What are the key properties of [3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate?
[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 62326291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).