5-amino-5-(2,5-dichlorophenyl)pentanoic acid

C11H13Cl2NO2 — CID 43344691

IUPAC5-amino-5-(2,5-dichlorophenyl)pentanoic acid
SMILESNC(CCCC(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c12-7-4-5-9(13)8(6-7)10(14)2-1-3-11(15)16/h4-6,10H,1-3,14H2,(H,15,16)
InChIKeySVEVYYFSJFXKOY-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.25
Rot. Bonds5

About 5-amino-5-(2,5-dichlorophenyl)pentanoic acid

5-amino-5-(2,5-dichlorophenyl)pentanoic acid (PubChem CID 43344691) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 5-amino-5-(2,5-dichlorophenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(2,5-dichlorophenyl)pentanoic acid
PubChem CID43344691
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name5-amino-5-(2,5-dichlorophenyl)pentanoic acid
SMILESNC(CCCC(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c12-7-4-5-9(13)8(6-7)10(14)2-1-3-11(15)16/h4-6,10H,1-3,14H2,(H,15,16)
InChIKeySVEVYYFSJFXKOY-UHFFFAOYSA-N
XLogP3.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
CID 171202730
5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid
CID 79597519
ethyl 6-amino-6-(2,5-dichlorophenyl)hexanoate
CID 60862342
4-amino-4-(2-bromo-4-chlorophenyl)butanoic acid
CID 117472459
5-amino-5-(2-chloro-5-fluoro-4-methylphenyl)pentanoic acid
CID 116937894
(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
CID 28931114
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
CID 131460461
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
4-amino-4-(2,5-dichloro-4-fluorophenyl)butanoic acid
CID 117419042
6-amino-6-(2,4-dichlorophenyl)hexanamide
CID 61271207
(2R)-2-amino-2-(2,5-dichlorophenyl)acetic acid;hydrochloride
CID 162344521

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2,5-dichlorophenyl)pentanoic acid?
The IUPAC name of 5-amino-5-(2,5-dichlorophenyl)pentanoic acid (CID 43344691) is 5-amino-5-(2,5-dichlorophenyl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(2,5-dichlorophenyl)pentanoic acid?
The canonical SMILES for 5-amino-5-(2,5-dichlorophenyl)pentanoic acid is NC(CCCC(=O)O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 5-amino-5-(2,5-dichlorophenyl)pentanoic acid?
The InChIKey is SVEVYYFSJFXKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c12-7-4-5-9(13)8(6-7)10(14)2-1-3-11(15)16/h4-6,10H,1-3,14H2,(H,15,16).
What are the key properties of 5-amino-5-(2,5-dichlorophenyl)pentanoic acid?
5-amino-5-(2,5-dichlorophenyl)pentanoic acid has a molecular weight of 262.14 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2,5-dichlorophenyl)pentanoic acid is sourced from PubChem (CID 43344691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).