4-(dimethylamino)butanoic acid;molecular chlorine

C6H13Cl2NO2 — CID 174526336

IUPAC4-(dimethylamino)butanoic acid;molecular chlorine
SMILESCN(C)CCCC(=O)O.ClCl
InChIInChI=1S/C6H13NO2.Cl2/c1-7(2)5-3-4-6(8)9;1-2/h3-5H2,1-2H3,(H,8,9);
InChIKeyXPOXLOWPONXDCR-UHFFFAOYSA-N
MW202.08 g/mol
LogP1.79
Rot. Bonds4

About 4-(dimethylamino)butanoic acid;molecular chlorine

4-(dimethylamino)butanoic acid;molecular chlorine (PubChem CID 174526336) has the molecular formula C6H13Cl2NO2 and a molecular weight of 202.08 g/mol. Its IUPAC name is 4-(dimethylamino)butanoic acid;molecular chlorine.

Molecular Properties

Compound Name4-(dimethylamino)butanoic acid;molecular chlorine
PubChem CID174526336
Molecular FormulaC6H13Cl2NO2
Molecular Weight202.08 g/mol
Exact Mass201.03
IUPAC Name4-(dimethylamino)butanoic acid;molecular chlorine
SMILESCN(C)CCCC(=O)O.ClCl
InChIInChI=1S/C6H13NO2.Cl2/c1-7(2)5-3-4-6(8)9;1-2/h3-5H2,1-2H3,(H,8,9);
InChIKeyXPOXLOWPONXDCR-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
2-(dimethylamino)ethanol;hexanedioic acid
CID 159637742
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
6-(dimethylamino)-3-oxohexanoic acid
CID 174931957
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc
CID 175605017
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
decanoic acid;N',N'-dimethylpropane-1,3-diamine
CID 172855493
N',N'-dimethylpropane-1,3-diamine;octanoic acid
CID 172808646
chloromethane;pentanedioic acid
CID 159659659
4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid
CID 46899763

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butanoic acid;molecular chlorine?
The IUPAC name of 4-(dimethylamino)butanoic acid;molecular chlorine (CID 174526336) is 4-(dimethylamino)butanoic acid;molecular chlorine.
What is the SMILES notation for 4-(dimethylamino)butanoic acid;molecular chlorine?
The canonical SMILES for 4-(dimethylamino)butanoic acid;molecular chlorine is CN(C)CCCC(=O)O.ClCl.
What is the InChIKey of 4-(dimethylamino)butanoic acid;molecular chlorine?
The InChIKey is XPOXLOWPONXDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.Cl2/c1-7(2)5-3-4-6(8)9;1-2/h3-5H2,1-2H3,(H,8,9);.
What are the key properties of 4-(dimethylamino)butanoic acid;molecular chlorine?
4-(dimethylamino)butanoic acid;molecular chlorine has a molecular weight of 202.08 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butanoic acid;molecular chlorine is sourced from PubChem (CID 174526336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).