[2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate

C12H19N3O3 — CID 61315096

IUPAC[2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCCNC(=O)COC(=O)c1cc(N)cn1CC
InChIInChI=1S/C12H19N3O3/c1-3-5-14-11(16)8-18-12(17)10-6-9(13)7-15(10)4-2/h6-7H,3-5,8,13H2,1-2H3,(H,14,16)
InChIKeyYTRVHMJEPBYREB-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.77
Rot. Bonds6

About [2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate

[2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 61315096) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID61315096
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name[2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCCNC(=O)COC(=O)c1cc(N)cn1CC
InChIInChI=1S/C12H19N3O3/c1-3-5-14-11(16)8-18-12(17)10-6-9(13)7-15(10)4-2/h6-7H,3-5,8,13H2,1-2H3,(H,14,16)
InChIKeyYTRVHMJEPBYREB-UHFFFAOYSA-N
XLogP0.77
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(butylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61485932
[2-(butylamino)-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61485933
[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate
CID 62326291
nonyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 63450638
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
CID 61316436
6-hydroxyhexyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107706189
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61488139
4-methylpentyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61310258
2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107913367
(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314717
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate (CID 61315096) is [2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate is CCCNC(=O)COC(=O)c1cc(N)cn1CC.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is YTRVHMJEPBYREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-5-14-11(16)8-18-12(17)10-6-9(13)7-15(10)4-2/h6-7H,3-5,8,13H2,1-2H3,(H,14,16).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate?
[2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 61315096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).