ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate

C14H21N3O3 — CID 61114978

IUPACethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc(N)cn1CC)C1CC1
InChIInChI=1S/C14H21N3O3/c1-3-16-8-10(15)7-12(16)14(19)17(11-5-6-11)9-13(18)20-4-2/h7-8,11H,3-6,9,15H2,1-2H3
InChIKeyDAYRVTCZHVFIFB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.26
Rot. Bonds6

About ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate

ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate (PubChem CID 61114978) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate
PubChem CID61114978
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc(N)cn1CC)C1CC1
InChIInChI=1S/C14H21N3O3/c1-3-16-8-10(15)7-12(16)14(19)17(11-5-6-11)9-13(18)20-4-2/h7-8,11H,3-6,9,15H2,1-2H3
InChIKeyDAYRVTCZHVFIFB-UHFFFAOYSA-N
XLogP1.26
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61115168
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433686
methyl 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-cyclopentylamino]acetate
CID 115535669
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106234
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997
ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
CID 60953815
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43648411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate (CID 61114978) is ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)c1cc(N)cn1CC)C1CC1.
What is the InChIKey of ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate?
The InChIKey is DAYRVTCZHVFIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-16-8-10(15)7-12(16)14(19)17(11-5-6-11)9-13(18)20-4-2/h7-8,11H,3-6,9,15H2,1-2H3.
What are the key properties of ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate?
ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.26, 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-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate is sourced from PubChem (CID 61114978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).