4-aminobutanoic acid;2-chloro-2-methylpropane

C8H18ClNO2 — CID 155408574

IUPAC4-aminobutanoic acid;2-chloro-2-methylpropane
SMILESCC(C)(C)Cl.NCCCC(=O)O
InChIInChI=1S/C4H9Cl.C4H9NO2/c1-4(2,3)5;5-3-1-2-4(6)7/h1-3H3;1-3,5H2,(H,6,7)
InChIKeyDSXCBCYUYLINKN-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.83
Rot. Bonds3

About 4-aminobutanoic acid;2-chloro-2-methylpropane

4-aminobutanoic acid;2-chloro-2-methylpropane (PubChem CID 155408574) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 4-aminobutanoic acid;2-chloro-2-methylpropane.

Molecular Properties

Compound Name4-aminobutanoic acid;2-chloro-2-methylpropane
PubChem CID155408574
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name4-aminobutanoic acid;2-chloro-2-methylpropane
SMILESCC(C)(C)Cl.NCCCC(=O)O
InChIInChI=1S/C4H9Cl.C4H9NO2/c1-4(2,3)5;5-3-1-2-4(6)7/h1-3H3;1-3,5H2,(H,6,7)
InChIKeyDSXCBCYUYLINKN-UHFFFAOYSA-N
XLogP1.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-aminobutanoic acid;dihydrochloride
CID 87111723
potassium;4-aminobutanoic acid;hydride
CID 173078667
4-aminobutanoic acid;urea
CID 87654258
magnesium;bis(4-aminobutanoic acid);butanoic acid
CID 11956325
chloromethane;pentanedioic acid
CID 159659659
11-aminoundecanoic acid;ethane
CID 144914161
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
heptanedioic acid;hexane-1,6-diamine
CID 174639050
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;2-chloro-2-methylpropane?
The IUPAC name of 4-aminobutanoic acid;2-chloro-2-methylpropane (CID 155408574) is 4-aminobutanoic acid;2-chloro-2-methylpropane.
What is the SMILES notation for 4-aminobutanoic acid;2-chloro-2-methylpropane?
The canonical SMILES for 4-aminobutanoic acid;2-chloro-2-methylpropane is CC(C)(C)Cl.NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid;2-chloro-2-methylpropane?
The InChIKey is DSXCBCYUYLINKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl.C4H9NO2/c1-4(2,3)5;5-3-1-2-4(6)7/h1-3H3;1-3,5H2,(H,6,7).
What are the key properties of 4-aminobutanoic acid;2-chloro-2-methylpropane?
4-aminobutanoic acid;2-chloro-2-methylpropane has a molecular weight of 195.69 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;2-chloro-2-methylpropane is sourced from PubChem (CID 155408574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).