2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid

C14H21N3O3 — CID 61325320

IUPAC2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCn2ccnc2)CCCC1
InChIInChI=1S/C14H21N3O3/c18-12(16-6-8-17-7-5-15-11-17)9-14(10-13(19)20)3-1-2-4-14/h5,7,11H,1-4,6,8-10H2,(H,16,18)(H,19,20)
InChIKeyOZIALVLIZGUXSO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.42
Rot. Bonds7

About 2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61325320) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61325320
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCn2ccnc2)CCCC1
InChIInChI=1S/C14H21N3O3/c18-12(16-6-8-17-7-5-15-11-17)9-14(10-13(19)20)3-1-2-4-14/h5,7,11H,1-4,6,8-10H2,(H,16,18)(H,19,20)
InChIKeyOZIALVLIZGUXSO-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 61325320) is 2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCCn2ccnc2)CCCC1.
What is the InChIKey of 2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is OZIALVLIZGUXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-12(16-6-8-17-7-5-15-11-17)9-14(10-13(19)20)3-1-2-4-14/h5,7,11H,1-4,6,8-10H2,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61325320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).