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

C10H16N2O2 — CID 45089372

IUPACethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C10H16N2O2/c1-4-14-10(13)9-5-8(11)6-12(9)7(2)3/h5-7H,4,11H2,1-3H3
InChIKeyJUQSUPUCPSMFQK-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.83
Rot. Bonds3

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

ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 45089372) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID45089372
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C10H16N2O2/c1-4-14-10(13)9-5-8(11)6-12(9)7(2)3/h5-7H,4,11H2,1-3H3
InChIKeyJUQSUPUCPSMFQK-UHFFFAOYSA-N
XLogP1.83
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61488584
ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612614
(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 64776292
2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 114157735
[3-oxo-3-(propan-2-ylamino)propyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62626979
[2-(butylamino)-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61485933
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
3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61494361
cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate (CID 45089372) is ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate is CCOC(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is JUQSUPUCPSMFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-14-10(13)9-5-8(11)6-12(9)7(2)3/h5-7H,4,11H2,1-3H3.
What are the key properties of ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 45089372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).