3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid

C15H17Cl2NO4 — CID 146149943

IUPAC3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid
SMILESO=C(O)CCC1CC(NC(=O)C(O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H17Cl2NO4/c16-9-2-3-11(12(17)7-9)14(21)15(22)18-10-5-8(6-10)1-4-13(19)20/h2-3,7-8,10,14,21H,1,4-6H2,(H,18,22)(H,19,20)
InChIKeyFJMMCCXIEZYZPH-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.79
Rot. Bonds6

About 3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid

3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid (PubChem CID 146149943) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is 3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid
PubChem CID146149943
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Name3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid
SMILESO=C(O)CCC1CC(NC(=O)C(O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H17Cl2NO4/c16-9-2-3-11(12(17)7-9)14(21)15(22)18-10-5-8(6-10)1-4-13(19)20/h2-3,7-8,10,14,21H,1,4-6H2,(H,18,22)(H,19,20)
InChIKeyFJMMCCXIEZYZPH-UHFFFAOYSA-N
XLogP2.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid
CID 166254759
(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 102173737
3-[1-(2,4-dichlorophenyl)ethylsulfamoyl]propanoic acid
CID 43095049
3-[(S)-(2,4-dichlorophenyl)-hydroxymethyl]but-3-en-2-one
CID 102374717
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetic acid
CID 43754588
3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61184371
2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide
CID 101435730
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
(2R)-N-cyclopropyl-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041090
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041075
cis-[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778229
trans-(1R,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701313

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid?
The IUPAC name of 3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid (CID 146149943) is 3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid.
What is the SMILES notation for 3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid?
The canonical SMILES for 3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid is O=C(O)CCC1CC(NC(=O)C(O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid?
The InChIKey is FJMMCCXIEZYZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c16-9-2-3-11(12(17)7-9)14(21)15(22)18-10-5-8(6-10)1-4-13(19)20/h2-3,7-8,10,14,21H,1,4-6H2,(H,18,22)(H,19,20).
What are the key properties of 3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid?
3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid has a molecular weight of 346.21 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid is sourced from PubChem (CID 146149943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).