(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate

C12H20N2O3 — CID 103036381

IUPAC(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
SMILESCOC(C)(C)CCOC(=O)c1cc(N)cn1C
InChIInChI=1S/C12H20N2O3/c1-12(2,16-4)5-6-17-11(15)10-7-9(13)8-14(10)3/h7-8H,5-6,13H2,1-4H3
InChIKeyYITLUJIWHNUZIV-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.58
Rot. Bonds5

About (3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate

(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 103036381) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID103036381
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
SMILESCOC(C)(C)CCOC(=O)c1cc(N)cn1C
InChIInChI=1S/C12H20N2O3/c1-12(2,16-4)5-6-17-11(15)10-7-9(13)8-14(10)3/h7-8H,5-6,13H2,1-4H3
InChIKeyYITLUJIWHNUZIV-UHFFFAOYSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyano-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 65252842
methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
(3-methoxy-2,2-dimethyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 79620796
decyl 4-amino-1-methylpyrrole-2-carboxylate
CID 63450419
tert-butyl 4-amino-1-methylpyrrole-2-carboxylate
CID 45089376
2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322678
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686
3-phenoxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 62936461
(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61322501
(3-methoxy-3-methylbutyl) 3-amino-5-methoxybenzoate
CID 103036403
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61323059
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of (3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate (CID 103036381) is (3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate is COC(C)(C)CCOC(=O)c1cc(N)cn1C.
What is the InChIKey of (3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is YITLUJIWHNUZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,16-4)5-6-17-11(15)10-7-9(13)8-14(10)3/h7-8H,5-6,13H2,1-4H3.
What are the key properties of (3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate?
(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 103036381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).