[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate

C15H23N3O3 — CID 61488584

IUPAC[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1cc(N)cn1C(C)C)C1CC1
InChIInChI=1S/C15H23N3O3/c1-4-17(12-5-6-12)14(19)9-21-15(20)13-7-11(16)8-18(13)10(2)3/h7-8,10,12H,4-6,9,16H2,1-3H3
InChIKeyUOXVBVLRAFFLCS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.82
Rot. Bonds6

About [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate

[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 61488584) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID61488584
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1cc(N)cn1C(C)C)C1CC1
InChIInChI=1S/C15H23N3O3/c1-4-17(12-5-6-12)14(19)9-21-15(20)13-7-11(16)8-18(13)10(2)3/h7-8,10,12H,4-6,9,16H2,1-3H3
InChIKeyUOXVBVLRAFFLCS-UHFFFAOYSA-N
XLogP1.82
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 64776292
2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 114157735
cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615
[2-(butylamino)-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61485933
[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62627964
4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43643422
2-(2-hydroxyethoxy)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61316444
4-methylpentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61310055
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 61488844
2-(4-methylpiperazin-1-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 82888463
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61315301

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate (CID 61488584) is [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate is CCN(C(=O)COC(=O)c1cc(N)cn1C(C)C)C1CC1.
What is the InChIKey of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is UOXVBVLRAFFLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-17(12-5-6-12)14(19)9-21-15(20)13-7-11(16)8-18(13)10(2)3/h7-8,10,12H,4-6,9,16H2,1-3H3.
What are the key properties of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 61488584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).