ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate

C13H21N3O3 — CID 55003688

IUPACethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1cc(N)cn1C
InChIInChI=1S/C13H21N3O3/c1-4-6-16(9-12(17)19-5-2)13(18)11-7-10(14)8-15(11)3/h7-8H,4-6,9,14H2,1-3H3
InChIKeyPTTGPSWYVUJTEL-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.02
Rot. Bonds6

About ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate

ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate (PubChem CID 55003688) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
PubChem CID55003688
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1cc(N)cn1C
InChIInChI=1S/C13H21N3O3/c1-4-6-16(9-12(17)19-5-2)13(18)11-7-10(14)8-15(11)3/h7-8H,4-6,9,14H2,1-3H3
InChIKeyPTTGPSWYVUJTEL-UHFFFAOYSA-N
XLogP1.02
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 61108695
4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide
CID 61105245
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 54898758
4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
CID 61108331
(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61322501
4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 43643428
4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61110497
4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61105477
ethyl 2-[(3-amino-5-bromo-2-methylbenzoyl)-propylamino]acetate
CID 107872593
ethyl 2-[(1-methyl-4-nitropyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 78978852
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate (CID 55003688) is ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1cc(N)cn1C.
What is the InChIKey of ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate?
The InChIKey is PTTGPSWYVUJTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-6-16(9-12(17)19-5-2)13(18)11-7-10(14)8-15(11)3/h7-8H,4-6,9,14H2,1-3H3.
What are the key properties of ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate?
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate has a molecular weight of 267.33 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate is sourced from PubChem (CID 55003688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).