[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate

C14H21N3O3 — CID 62627964

IUPAC[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OCCC(=O)NC1CC1
InChIInChI=1S/C14H21N3O3/c1-9(2)17-8-10(15)7-12(17)14(19)20-6-5-13(18)16-11-3-4-11/h7-9,11H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyFXBRHOKATXIXLO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.48
Rot. Bonds6

About [3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate

[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 62627964) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID62627964
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OCCC(=O)NC1CC1
InChIInChI=1S/C14H21N3O3/c1-9(2)17-8-10(15)7-12(17)14(19)20-6-5-13(18)16-11-3-4-11/h7-9,11H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyFXBRHOKATXIXLO-UHFFFAOYSA-N
XLogP1.48
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61315301
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
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
methyl 4-amino-1-[3-(cyclopropylamino)-3-oxopropyl]pyrrole-2-carboxylate
CID 62625958
2-(4-methylpiperazin-1-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 82888463
cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615
4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61139289
2-(2,2,2-trifluoroethoxy)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61490592
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61488584
[3-(cyclopropylamino)-3-oxopropyl] 2,4-diaminobenzoate
CID 62628318
4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64738703

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of [3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate (CID 62627964) is [3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for [3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for [3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate is CC(C)n1cc(N)cc1C(=O)OCCC(=O)NC1CC1.
What is the InChIKey of [3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is FXBRHOKATXIXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)17-8-10(15)7-12(17)14(19)20-6-5-13(18)16-11-3-4-11/h7-9,11H,3-6,15H2,1-2H3,(H,16,18).
What are the key properties of [3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 62627964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).