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

C13H20N2O3 — CID 54898758

IUPACethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1cccn1C
InChIInChI=1S/C13H20N2O3/c1-4-8-15(10-12(16)18-5-2)13(17)11-7-6-9-14(11)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyAKUWFDXWFWKKPZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.44
Rot. Bonds6

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

ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate (PubChem CID 54898758) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate
PubChem CID54898758
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1cccn1C
InChIInChI=1S/C13H20N2O3/c1-4-8-15(10-12(16)18-5-2)13(17)11-7-6-9-14(11)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyAKUWFDXWFWKKPZ-UHFFFAOYSA-N
XLogP1.44
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 55003688
N,N-diethyl-1-methylpyrrole-2-carboxamide
CID 60654004
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
N-[[4-(N'-hydroxycarbamimidoyl)-1-methylpyrrol-2-yl]methyl]-1-methyl-N-propylpyrrole-2-carboxamide
CID 123479607
ethyl 2-[(1-ethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331340
ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate
CID 106853797
ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
CID 54898816
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 61108695
N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 82505454
ethyl 3-(1-methylpyrrol-2-yl)propanoate
CID 69110219
ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propylamino]acetate
CID 54898620
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate (CID 54898758) is ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1cccn1C.
What is the InChIKey of ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate?
The InChIKey is AKUWFDXWFWKKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-8-15(10-12(16)18-5-2)13(17)11-7-6-9-14(11)3/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate?
ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate has a molecular weight of 252.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate is sourced from PubChem (CID 54898758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).