2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid

C15H23N3O3 — CID 5127104

IUPAC2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCCn2ccnc2)CCCC1
InChIInChI=1S/C15H23N3O3/c19-13(17-6-3-8-18-9-7-16-12-18)10-15(11-14(20)21)4-1-2-5-15/h7,9,12H,1-6,8,10-11H2,(H,17,19)(H,20,21)
InChIKeyWONBBROUCSYEFO-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.81
Rot. Bonds8

About 2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 5127104) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID5127104
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCCn2ccnc2)CCCC1
InChIInChI=1S/C15H23N3O3/c19-13(17-6-3-8-18-9-7-16-12-18)10-15(11-14(20)21)4-1-2-5-15/h7,9,12H,1-6,8,10-11H2,(H,17,19)(H,20,21)
InChIKeyWONBBROUCSYEFO-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 5127104) is 2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCCCn2ccnc2)CCCC1.
What is the InChIKey of 2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is WONBBROUCSYEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-13(17-6-3-8-18-9-7-16-12-18)10-15(11-14(20)21)4-1-2-5-15/h7,9,12H,1-6,8,10-11H2,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 5127104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).