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

C15H21N3O3 — CID 61115168

IUPACethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc(N)cn1C1CC1)C1CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-14(19)9-18(12-5-6-12)15(20)13-7-10(16)8-17(13)11-3-4-11/h7-8,11-12H,2-6,9,16H2,1H3
InChIKeyHCEOJZYFRQGWFV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.57
Rot. Bonds6

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

ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate (PubChem CID 61115168) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate
PubChem CID61115168
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc(N)cn1C1CC1)C1CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-14(19)9-18(12-5-6-12)15(20)13-7-10(16)8-17(13)11-3-4-11/h7-8,11-12H,2-6,9,16H2,1H3
InChIKeyHCEOJZYFRQGWFV-UHFFFAOYSA-N
XLogP1.57
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61114978
4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 103100900
ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65366812
4-amino-1-cyclopropyl-N-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 62001599
4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide
CID 61105549
3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65180401
4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide
CID 113475372
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
CID 60953815
4-amino-1-cyclopropyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrole-2-carboxamide
CID 79489755
4-amino-1-cyclopropyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-2-carboxamide
CID 61115970
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid
CID 54946058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate (CID 61115168) is ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)c1cc(N)cn1C1CC1)C1CC1.
What is the InChIKey of ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate?
The InChIKey is HCEOJZYFRQGWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-14(19)9-18(12-5-6-12)15(20)13-7-10(16)8-17(13)11-3-4-11/h7-8,11-12H,2-6,9,16H2,1H3.
What are the key properties of ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate?
ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate has a molecular weight of 291.35 g/mol, XLogP of 1.57, 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-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate is sourced from PubChem (CID 61115168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).