2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate

C11H18N2O2 — CID 61309440

IUPAC2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCC(C)C
InChIInChI=1S/C11H18N2O2/c1-4-13-6-9(12)5-10(13)11(14)15-7-8(2)3/h5-6,8H,4,7,12H2,1-3H3
InChIKeyLJUZEYBPNBGSSB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.90
Rot. Bonds4

About 2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate

2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 61309440) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID61309440
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCC(C)C
InChIInChI=1S/C11H18N2O2/c1-4-13-6-9(12)5-10(13)11(14)15-7-8(2)3/h5-6,8H,4,7,12H2,1-3H3
InChIKeyLJUZEYBPNBGSSB-UHFFFAOYSA-N
XLogP1.90
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
CID 61315296
[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate
CID 62326291
2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107913367
(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314717
[2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315096
4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
CID 61106069
(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314905
(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 2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of 2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate (CID 61309440) is 2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for 2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate is CCn1cc(N)cc1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is LJUZEYBPNBGSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-13-6-9(12)5-10(13)11(14)15-7-8(2)3/h5-6,8H,4,7,12H2,1-3H3.
What are the key properties of 2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate?
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 61309440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).