5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid

C15H19Cl2NO3 — CID 110442654

IUPAC5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
SMILESCC(C)(CNC(=O)CCCC(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO3/c1-15(2,11-7-6-10(16)8-12(11)17)9-18-13(19)4-3-5-14(20)21/h6-8H,3-5,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNYYHXBQLJDXCTR-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.64
Rot. Bonds7

About 5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid

5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid (PubChem CID 110442654) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
PubChem CID110442654
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
SMILESCC(C)(CNC(=O)CCCC(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO3/c1-15(2,11-7-6-10(16)8-12(11)17)9-18-13(19)4-3-5-14(20)21/h6-8H,3-5,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNYYHXBQLJDXCTR-UHFFFAOYSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-morpholin-4-ylacetamide
CID 110444241
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid
CID 115163912
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173969
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63517804
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255
5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 104573930
4-[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122010326
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786039

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid (CID 110442654) is 5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid is CC(C)(CNC(=O)CCCC(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid?
The InChIKey is NYYHXBQLJDXCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-15(2,11-7-6-10(16)8-12(11)17)9-18-13(19)4-3-5-14(20)21/h6-8H,3-5,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid?
5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid has a molecular weight of 332.23 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 110442654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).