2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate

C14H22N2O2 — CID 114157735

IUPAC2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OCCC1CCC1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-9-12(15)8-13(16)14(17)18-7-6-11-4-3-5-11/h8-11H,3-7,15H2,1-2H3
InChIKeyUIFDJSSGMDDVMC-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.00
Rot. Bonds5

About 2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate

2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 114157735) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID114157735
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OCCC1CCC1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-9-12(15)8-13(16)14(17)18-7-6-11-4-3-5-11/h8-11H,3-7,15H2,1-2H3
InChIKeyUIFDJSSGMDDVMC-UHFFFAOYSA-N
XLogP3.00
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62627964
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61494361
4-amino-N-(2-cyclopentylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54932690
cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615
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
[3-oxo-3-(propan-2-ylamino)propyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62626979
2-(4-methylpiperazin-1-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 82888463
2-(2,2,2-trifluoroethoxy)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61490592
(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 64776292
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61488584

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of 2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate (CID 114157735) is 2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate is CC(C)n1cc(N)cc1C(=O)OCCC1CCC1.
What is the InChIKey of 2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is UIFDJSSGMDDVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-9-12(15)8-13(16)14(17)18-7-6-11-4-3-5-11/h8-11H,3-7,15H2,1-2H3.
What are the key properties of 2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 114157735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).