(5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate

C10H13N3O3 — CID 70528914

IUPAC(5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate
SMILESNC(=O)c1[nH]cnc1OC(=O)C1CCCC1
InChIInChI=1S/C10H13N3O3/c11-8(14)7-9(13-5-12-7)16-10(15)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,14)(H,12,13)
InChIKeyRUNLBPSYWQCKHZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.60
Rot. Bonds3

About (5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate

(5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate (PubChem CID 70528914) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate
PubChem CID70528914
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate
SMILESNC(=O)c1[nH]cnc1OC(=O)C1CCCC1
InChIInChI=1S/C10H13N3O3/c11-8(14)7-9(13-5-12-7)16-10(15)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,14)(H,12,13)
InChIKeyRUNLBPSYWQCKHZ-UHFFFAOYSA-N
XLogP0.60
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate?
The IUPAC name of (5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate (CID 70528914) is (5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate.
What is the SMILES notation for (5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate?
The canonical SMILES for (5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate is NC(=O)c1[nH]cnc1OC(=O)C1CCCC1.
What is the InChIKey of (5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate?
The InChIKey is RUNLBPSYWQCKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-8(14)7-9(13-5-12-7)16-10(15)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,14)(H,12,13).
What are the key properties of (5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate?
(5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate is sourced from PubChem (CID 70528914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).