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

C13H20N2O2 — CID 61309615

IUPACcyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OC1CCCC1
InChIInChI=1S/C13H20N2O2/c1-9(2)15-8-10(14)7-12(15)13(16)17-11-5-3-4-6-11/h7-9,11H,3-6,14H2,1-2H3
InChIKeyLLWDCVDHCBTWOV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.75
Rot. Bonds3

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

cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 61309615) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID61309615
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namecyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OC1CCCC1
InChIInChI=1S/C13H20N2O2/c1-9(2)15-8-10(14)7-12(15)13(16)17-11-5-3-4-6-11/h7-9,11H,3-6,14H2,1-2H3
InChIKeyLLWDCVDHCBTWOV-UHFFFAOYSA-N
XLogP2.75
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 64776292
cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61309814
2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 114157735
(2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61317213
4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43643422
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61315301
4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 102631148
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61488584
[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62627964
4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61104999
4-amino-N-(2-cyclopentylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54932690

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate (CID 61309615) is cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate is CC(C)n1cc(N)cc1C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is LLWDCVDHCBTWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)15-8-10(14)7-12(15)13(16)17-11-5-3-4-6-11/h7-9,11H,3-6,14H2,1-2H3.
What are the key properties of cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 61309615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).