2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid

C13H17Cl2NO2 — CID 84746817

IUPAC2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid
SMILESCC(C)CCNC(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)5-6-16-12(13(17)18)10-4-3-9(14)7-11(10)15/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyAVBWDRBOQGAGRB-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.75
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid

2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid (PubChem CID 84746817) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid
PubChem CID84746817
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid
SMILESCC(C)CCNC(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)5-6-16-12(13(17)18)10-4-3-9(14)7-11(10)15/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyAVBWDRBOQGAGRB-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetonitrile
CID 82020101
1-(2,4-dichlorophenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100517
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetic acid
CID 43754588
2-(butylamino)-2-(5-chloro-2-hydroxyphenyl)acetic acid
CID 84748540
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid
CID 155964162
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
2-(2-azidoethylamino)-2-(4-chloro-2-fluorophenyl)acetic acid
CID 114843792
2-[[1-(2,4-dichlorophenyl)ethylamino]methyl]prop-2-enoic acid
CID 103233973
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
CID 55025461
2-(butan-2-ylamino)-2-(4-chloro-2-fluorophenyl)acetic acid
CID 114843756

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid (CID 84746817) is 2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid is CC(C)CCNC(C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid?
The InChIKey is AVBWDRBOQGAGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-8(2)5-6-16-12(13(17)18)10-4-3-9(14)7-11(10)15/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid?
2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid has a molecular weight of 290.19 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid is sourced from PubChem (CID 84746817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).