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

C15H23N3O3 — CID 61071315

IUPAC2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(Cn1ccnc1)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H23N3O3/c1-12(10-18-7-6-16-11-18)17-13(19)8-15(9-14(20)21)4-2-3-5-15/h6-7,11-12H,2-5,8-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyWATSGPLUJJAFCW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.81
Rot. Bonds7

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

2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61071315) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61071315
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(Cn1ccnc1)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H23N3O3/c1-12(10-18-7-6-16-11-18)17-13(19)8-15(9-14(20)21)4-2-3-5-15/h6-7,11-12H,2-5,8-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyWATSGPLUJJAFCW-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 61071315) is 2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid is CC(Cn1ccnc1)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is WATSGPLUJJAFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12(10-18-7-6-16-11-18)17-13(19)8-15(9-14(20)21)4-2-3-5-15/h6-7,11-12H,2-5,8-10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).