methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate

C11H18N2O3 — CID 61484775

IUPACmethyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(N)cn1CCOC(C)C
InChIInChI=1S/C11H18N2O3/c1-8(2)16-5-4-13-7-9(12)6-10(13)11(14)15-3/h6-8H,4-5,12H2,1-3H3
InChIKeyDIJBQPBUIVFRJT-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.28
Rot. Bonds5

About methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate

methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate (PubChem CID 61484775) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate
PubChem CID61484775
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(N)cn1CCOC(C)C
InChIInChI=1S/C11H18N2O3/c1-8(2)16-5-4-13-7-9(12)6-10(13)11(14)15-3/h6-8H,4-5,12H2,1-3H3
InChIKeyDIJBQPBUIVFRJT-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-1-(2-butoxyethyl)pyrrole-2-carboxylate
CID 54956397
methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate
CID 62625958
methyl 4-amino-1-(2-chloroprop-2-enyl)pyrrole-2-carboxylate
CID 165471790
methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 82866397
methyl 4-amino-1-[(4-tert-butylphenyl)methyl]pyrrole-2-carboxylate
CID 61292758
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
methyl 4-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 64799579
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61488139
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61314358
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
CID 106006234
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
CID 61315296

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate (CID 61484775) is methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate is COC(=O)c1cc(N)cn1CCOC(C)C.
What is the InChIKey of methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate?
The InChIKey is DIJBQPBUIVFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(2)16-5-4-13-7-9(12)6-10(13)11(14)15-3/h6-8H,4-5,12H2,1-3H3.
What are the key properties of methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate?
methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 61484775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).