2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate

C14H20N4O2 — CID 114531057

IUPAC2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OCCc1nccn1C
InChIInChI=1S/C14H20N4O2/c1-10(2)18-9-11(15)8-12(18)14(19)20-7-4-13-16-5-6-17(13)3/h5-6,8-10H,4,7,15H2,1-3H3
InChIKeyHIAUIHHKPDPNEF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.78
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate

2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 114531057) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID114531057
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OCCc1nccn1C
InChIInChI=1S/C14H20N4O2/c1-10(2)18-9-11(15)8-12(18)14(19)20-7-4-13-16-5-6-17(13)3/h5-6,8-10H,4,7,15H2,1-3H3
InChIKeyHIAUIHHKPDPNEF-UHFFFAOYSA-N
XLogP1.78
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-hydroxyethoxy)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61316444
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
2-(1-methylimidazol-2-yl)ethyl 3-amino-5-methylbenzoate
CID 114531090
4-methylpentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61310055
2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 114157735
2-(4-methylpiperazin-1-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 82888463
3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61494361
2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate
CID 114531043
2-(1-methylimidazol-2-yl)ethyl 5-amino-2-bromo-4-fluorobenzoate
CID 114531067
4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642719
2-(1-methylimidazol-2-yl)ethyl 2-amino-3-chlorobenzoate
CID 114531084
2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 114531068

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of 2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate (CID 114531057) is 2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for 2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate is CC(C)n1cc(N)cc1C(=O)OCCc1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is HIAUIHHKPDPNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)18-9-11(15)8-12(18)14(19)20-7-4-13-16-5-6-17(13)3/h5-6,8-10H,4,7,15H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 114531057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).