2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid

C24H31Cl2N3O4 — CID 23573096

IUPAC2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)OC1CCCC1)C(=O)O
InChIInChI=1S/C24H31Cl2N3O4/c1-15(2)7-21(23(30)31)28-22(24(32)33-20-5-3-4-6-20)11-19-12-27-14-29(19)13-16-8-17(25)10-18(26)9-16/h8-10,12,14-15,20-22,28H,3-7,11,13H2,1-2H3,(H,30,31)
InChIKeyDOQCAGDWQJNQQJ-UHFFFAOYSA-N
MW496.44 g/mol
LogP4.72
Rot. Bonds11

About 2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid

2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid (PubChem CID 23573096) has the molecular formula C24H31Cl2N3O4 and a molecular weight of 496.44 g/mol. Its IUPAC name is 2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid
PubChem CID23573096
Molecular FormulaC24H31Cl2N3O4
Molecular Weight496.44 g/mol
Exact Mass495.17
IUPAC Name2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)OC1CCCC1)C(=O)O
InChIInChI=1S/C24H31Cl2N3O4/c1-15(2)7-21(23(30)31)28-22(24(32)33-20-5-3-4-6-20)11-19-12-27-14-29(19)13-16-8-17(25)10-18(26)9-16/h8-10,12,14-15,20-22,28H,3-7,11,13H2,1-2H3,(H,30,31)
InChIKeyDOQCAGDWQJNQQJ-UHFFFAOYSA-N
XLogP4.72
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-methoxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid
CID 23573106
methyl 2-[[3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-methoxy-1-oxopropan-2-yl]amino]-4-methylpentanoate
CID 23573212
(2S)-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-2-[[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]amino]propanoic acid
CID 10276063
2-[[3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-[1-(2,2-dimethylpropanoyloxy)ethoxy]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid
CID 23573103
(2S)-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-2-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]propanoic acid
CID 58632940
(2S)-2-[[(1S)-1-carboxy-2-[3-[(4-iodophenyl)methyl]imidazol-4-yl]ethyl]amino]-4-methylpentanoic acid
CID 58632859
2-[[1-carboxy-2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]amino]-4-methylpentanoic acid
CID 20595980
2-[carboxy-[2-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-iodoethyl]amino]-4-methylpentanoic acid
CID 155284302
(2S)-2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propanoic acid
CID 59100889
2-[[1-carboxy-2-[2-[(3,5-dichlorophenyl)methyl]pyrazol-3-yl]ethyl]amino]-4-methylpentanoic acid
CID 23572931
(2S)-3-[3-[(2,6-dichlorophenyl)methyl]imidazol-4-yl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid
CID 59100989
2-[[(1R)-1-carboxy-2-[3-(phenylmethoxymethyl)imidazol-4-yl]ethyl]amino]-4-methylpentanoic acid
CID 59100962

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid (CID 23573096) is 2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid is CC(C)CC(NC(Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)OC1CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid?
The InChIKey is DOQCAGDWQJNQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N3O4/c1-15(2)7-21(23(30)31)28-22(24(32)33-20-5-3-4-6-20)11-19-12-27-14-29(19)13-16-8-17(25)10-18(26)9-16/h8-10,12,14-15,20-22,28H,3-7,11,13H2,1-2H3,(H,30,31).
What are the key properties of 2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid?
2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid has a molecular weight of 496.44 g/mol, XLogP of 4.72, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopentyloxy-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 23573096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).