3-amino-4-(2,6-dichlorophenoxy)butanoic acid

C10H11Cl2NO3 — CID 82133532

IUPAC3-amino-4-(2,6-dichlorophenoxy)butanoic acid
SMILESNC(COc1c(Cl)cccc1Cl)CC(=O)O
InChIInChI=1S/C10H11Cl2NO3/c11-7-2-1-3-8(12)10(7)16-5-6(13)4-9(14)15/h1-3,6H,4-5,13H2,(H,14,15)
InChIKeySDOLFLUELBCGKI-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.17
Rot. Bonds5

About 3-amino-4-(2,6-dichlorophenoxy)butanoic acid

3-amino-4-(2,6-dichlorophenoxy)butanoic acid (PubChem CID 82133532) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-amino-4-(2,6-dichlorophenoxy)butanoic acid.

Molecular Properties

Compound Name3-amino-4-(2,6-dichlorophenoxy)butanoic acid
PubChem CID82133532
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name3-amino-4-(2,6-dichlorophenoxy)butanoic acid
SMILESNC(COc1c(Cl)cccc1Cl)CC(=O)O
InChIInChI=1S/C10H11Cl2NO3/c11-7-2-1-3-8(12)10(7)16-5-6(13)4-9(14)15/h1-3,6H,4-5,13H2,(H,14,15)
InChIKeySDOLFLUELBCGKI-UHFFFAOYSA-N
XLogP2.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
3-amino-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 112511325
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 82619390
(3S)-3-amino-4-[2-[bis(2-chloroethyl)amino]phenoxy]butanoic acid
CID 118276548
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
CID 130609315
(3R)-3-amino-4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid
CID 126511033
1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene
CID 66224051
1-(2,6-dichlorophenoxy)propan-2-ylhydrazine
CID 82291003
[3-(2,6-dichlorophenoxy)-2-hydroxypropyl] nitrate
CID 10779233
2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83120734

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,6-dichlorophenoxy)butanoic acid?
The IUPAC name of 3-amino-4-(2,6-dichlorophenoxy)butanoic acid (CID 82133532) is 3-amino-4-(2,6-dichlorophenoxy)butanoic acid.
What is the SMILES notation for 3-amino-4-(2,6-dichlorophenoxy)butanoic acid?
The canonical SMILES for 3-amino-4-(2,6-dichlorophenoxy)butanoic acid is NC(COc1c(Cl)cccc1Cl)CC(=O)O.
What is the InChIKey of 3-amino-4-(2,6-dichlorophenoxy)butanoic acid?
The InChIKey is SDOLFLUELBCGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c11-7-2-1-3-8(12)10(7)16-5-6(13)4-9(14)15/h1-3,6H,4-5,13H2,(H,14,15).
What are the key properties of 3-amino-4-(2,6-dichlorophenoxy)butanoic acid?
3-amino-4-(2,6-dichlorophenoxy)butanoic acid has a molecular weight of 264.11 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,6-dichlorophenoxy)butanoic acid is sourced from PubChem (CID 82133532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).