cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate

C11H16N2O2 — CID 61309814

IUPACcyclopentyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCn1cc(N)cc1C(=O)OC1CCCC1
InChIInChI=1S/C11H16N2O2/c1-13-7-8(12)6-10(13)11(14)15-9-4-2-3-5-9/h6-7,9H,2-5,12H2,1H3
InChIKeyXKPGNRXVYSMBEN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.71
Rot. Bonds2

About cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate

cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 61309814) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID61309814
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namecyclopentyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCn1cc(N)cc1C(=O)OC1CCCC1
InChIInChI=1S/C11H16N2O2/c1-13-7-8(12)6-10(13)11(14)15-9-4-2-3-5-9/h6-7,9H,2-5,12H2,1H3
InChIKeyXKPGNRXVYSMBEN-UHFFFAOYSA-N
XLogP1.71
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-Nitropyrrole-2-carboxylate
CID 242169
4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid
CID 2735636
Ethyl 1-methylpyrrole-2-carboxylate
CID 90112
Methyl 1-methylpyrrole-2-carboxylate
CID 142178
Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate
CID 2759930
Ethyl 4-[bis(2-chloroethyl)amino]-1-methyl-1H-pyrrole-2-carboxylate
CID 14526090
Methyl 1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylate
CID 592893
Ethyl 3-amino-1H-pyrrole-2-carboxylate
CID 2773439
methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate hydrochloride
CID 2794656
4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid
CID 3330245
Methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate
CID 2794657
4-[[4-(Methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 23541315

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate (CID 61309814) is cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate is Cn1cc(N)cc1C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is XKPGNRXVYSMBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-7-8(12)6-10(13)11(14)15-9-4-2-3-5-9/h6-7,9H,2-5,12H2,1H3.
What are the key properties of cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate?
cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 61309814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).