2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate

C12H21N3O2 — CID 61322678

IUPAC2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCCN(CC)CCOC(=O)c1cc(N)cn1C
InChIInChI=1S/C12H21N3O2/c1-4-15(5-2)6-7-17-12(16)11-8-10(13)9-14(11)3/h8-9H,4-7,13H2,1-3H3
InChIKeyIMRXJMVPSZHFMN-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.11
Rot. Bonds6

About 2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate

2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 61322678) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID61322678
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCCN(CC)CCOC(=O)c1cc(N)cn1C
InChIInChI=1S/C12H21N3O2/c1-4-15(5-2)6-7-17-12(16)11-8-10(13)9-14(11)3/h8-9H,4-7,13H2,1-3H3
InChIKeyIMRXJMVPSZHFMN-UHFFFAOYSA-N
XLogP1.11
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

decyl 4-amino-1-methylpyrrole-2-carboxylate
CID 63450419
methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61322501
(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 103036381
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686
(3-cyano-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 65252842
3-phenoxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 62936461
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride
CID 138399963
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61323059
tert-butyl 4-amino-1-methylpyrrole-2-carboxylate
CID 45089376
pentan-2-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 102983089

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate (CID 61322678) is 2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate is CCN(CC)CCOC(=O)c1cc(N)cn1C.
What is the InChIKey of 2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is IMRXJMVPSZHFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15(5-2)6-7-17-12(16)11-8-10(13)9-14(11)3/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate?
2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 239.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 61322678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).